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581-71-5 | 3-Hydroxynaphthalene-2-carbaldehyde
CAS No: 581-71-5 Catalog No: AG003JJD MDL No:MFCD00079346
Product Description
Catalog Number:
AG003JJD
Chemical Name:
3-Hydroxynaphthalene-2-carbaldehyde
CAS Number:
581-71-5
Molecular Formula:
C11H8O2
Molecular Weight:
172.1800
MDL Number:
MFCD00079346
IUPAC Name:
3-hydroxynaphthalene-2-carbaldehyde
InChI:
InChI=1S/C11H8O2/c12-7-10-5-8-3-1-2-4-9(8)6-11(10)13/h1-7,13H
InChI Key:
QCUNDLUTTXSPFM-UHFFFAOYSA-N
SMILES:
O=Cc1cc2ccccc2cc1O
NSC Number:
240729
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.052g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.183g/mol
Monoisotopic Mass:
172.052g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Inequivalence of substitution pairs in hydroxynaphthaldehyde: A theoretical measurement by intramolecular hydrogen bond strength, aromaticity, and excited-state intramolecular proton transfer reaction. | Journal of computational chemistry 20110115 |
| (Acetyl-acetone 3-hy-droxy-2-naphtho-yl-hydrazonato-κO,N',O')(methoxo-κO)oxidovanadate(V). | Acta crystallographica. Section E, Structure reports online 20100801 |
| [N'-(5-Bromo-2-oxidobenzyl-idene-κO)-3-hydr-oxy-2-naphthohydrazidato-κN',O]dimethyl-tin(IV). | Acta crystallographica. Section E, Structure reports online 20100201 |
| [N'-(5-Bromo-2-oxidobenzyl-idene-κO)-3-hydr-oxy-2-naphthohydrazidato-κN',O]dicyclo-hexyl-tin(IV). | Acta crystallographica. Section E, Structure reports online 20100201 |
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