CAS 100-83-4 | Benzaldehyde, 3-hydroxy- | CAS Number 100-83-4

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100-83-4 | Benzaldehyde, 3-hydroxy-

CAS No: 100-83-4 Catalog No: AG00007W MDL No:MFCD00003368

Product Description

Catalog Number:

AG00007W

Chemical Name:

Benzaldehyde, 3-hydroxy-

CAS Number:

100-83-4

Molecular Formula:

C7H6O2

Molecular Weight:

122.1213

MDL Number:

MFCD00003368

IUPAC Name:

3-hydroxybenzaldehyde

InChI:

InChI=1S/C7H6O2/c8-5-6-2-1-3-7(9)4-6/h1-5,9H

InChI Key:

IAVREABSGIHHMO-UHFFFAOYSA-N

SMILES:

O=Cc1cccc(c1)O

EC Number:

202-892-9

UNII:

8Z2819J40E

NSC Number:

3504

Properties

Complexity:

101

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

122.037g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

122.123g/mol

Monoisotopic Mass:

122.037g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4

Literature

Title	Journal
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Growth and characterization of organic material 3-hydroxybenzaldehyde single crystal by modified vertical Bridgman technique.	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20120215
Thermochemical data and additivity group values for ten species of o-xylene low-temperature oxidation mechanism.	The journal of physical chemistry. A 20120112
Interference of H-bonding and substituent effects in nitro- and hydroxy-substituted salicylaldehydes.	Journal of molecular modeling 20120101
Imidazolines as non-classical bioisosteres of N-acyl homoserine lactones and quorum sensing inhibitors.	International journal of molecular sciences 20120101
2-(3-Hy-droxy-benzyl-amino)-acetic acid.	Acta crystallographica. Section E, Structure reports online 20110701
Health-Beneficial Phenolic Aldehyde in Antigonon leptopus Tea.	Evidence-based complementary and alternative medicine : eCAM 20110101
Synthesis of novel biologically active heterocyclic compounds from 2-oxo-2H-benzopyran-6-yl-imidazolidine.	Acta poloniae pharmaceutica 20110101
(E)-N'-(3-Hy-droxy-benzyl-idene)-3-nitro-benzohydrazide.	Acta crystallographica. Section E, Structure reports online 20110101
Hydrogen bond, dimerization and vibrational modes in 2-chloro-3-hydroxybenzaldehyde and 3-chloro-4-hydroxybenzaldehyde from vibrational and ab initio studies.	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20101201
(E)-1-[4-(Hex-yloxy)phen-yl]-3-(3-hy-droxy-phen-yl)prop-2-en-1-one.	Acta crystallographica. Section E, Structure reports online 20101201
N'-(3-Hy-droxy-benzyl-idene)-4-nitro-benzohydrazide.	Acta crystallographica. Section E, Structure reports online 20101101
Dimethyl 4-(3-hydroxy-phen-yl)-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxyl-ate.	Acta crystallographica. Section E, Structure reports online 20100401
Ethyl 4-(3-hydroxy-phen-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate.	Acta crystallographica. Section E, Structure reports online 20091101
A chemical screening approach reveals that indole fluorescence is quenched by pre-fibrillar but not fibrillar amyloid-beta.	Bioorganic & medicinal chemistry letters 20090901
1,2-Bis(3-hydroxy-benzyl-idene)diazane.	Acta crystallographica. Section E, Structure reports online 20090801
3-[1-(3-Hydroxy-benz-yl)-1H-benz-imid-azol-2-yl]phenol.	Acta crystallographica. Section E, Structure reports online 20090601
Asymmetric total synthesis of (-)-quinocarcin.	Journal of the American Chemical Society 20080604
Cationic porphyrin induced a telomeric DNA to g-quadruplex form in water.	Bioinorganic chemistry and applications 20080101
Redetermination of 4-hydroxy-benzaldehyde.	Acta crystallographica. Section E, Structure reports online 20080101
2'-(3-Hydroxy-benzyl-idene)pyrazine-2-carbohydrazide monohydrate.	Acta crystallographica. Section E, Structure reports online 20080101
Low-energy collision-induced fragmentation of negative ions derived from ortho-, meta-, and para-hydroxyphenyl carbaldehydes, ketones, and related compounds.	Journal of mass spectrometry : JMS 20070901
Combinatorial synthesis and characterization of new asymmetric porphyrins as potential photosensitizers in photodynamic therapy.	Combinatorial chemistry & high throughput screening 20070701
3D-QSAR and molecular docking studies of benzaldehyde thiosemicarbazone, benzaldehyde, benzoic acid, and their derivatives as phenoloxidase inhibitors.	Bioorganic & medicinal chemistry 20070301
A new copper(I)-tetrahydrosalen-catalyzed asymmetric Henry reaction and its extension to the synthesis of (S)-norphenylephrine.	Chemistry (Weinheim an der Bergstrasse, Germany) 20070101
Synthesis and characterization of a novel functionalized azanonaborane cluster for boron neutron capture therapy.	Organic & biomolecular chemistry 20050607
Subphthalocyanines: tuneable molecular scaffolds for intramolecular electron and energy transfer processes.	Journal of the American Chemical Society 20040526
IR spectral and structural changes caused by the conversion of 3-hydroxybenzaldehyde into the oxyanion.	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20030501
Effects of aldehyde dehydrogenase-2 genetic polymorphisms on metabolism of structurally different aldehydes in human liver.	Drug metabolism and disposition: the biological fate of chemicals 20020101
GC/ITMS measurement of carbonyls and multifunctional carbonyls in PM2.5 particles emitted from motor vehicles.	Journal of AOAC International 20010101
The aromatic alcohol dehydrogenases in Pseudomonas putida N.C.I.B. 9869 grown on 3,5-xylenol and p-cresol.	The Biochemical journal 19781101
Aromatic aldehyde dehydrogenase from Pseudomonas putida N.C.I.B. 9869.	Biochemical Society transactions 19750101