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100-83-4

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:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
122.037g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
122.123g/mol
Monoisotopic Mass:
122.037g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

Literature

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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
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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
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