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14660-14-1 | Benzoic acid, 2-[(4-hydroxyphenyl)methyl]-
CAS No: 14660-14-1 Catalog No: AG001E67 MDL No:
Product Description
Catalog Number:
AG001E67
Chemical Name:
Benzoic acid, 2-[(4-hydroxyphenyl)methyl]-
CAS Number:
14660-14-1
Molecular Formula:
C14H12O3
Molecular Weight:
228.2433
IUPAC Name:
2-[(4-hydroxyphenyl)methyl]benzoic acid
InChI:
InChI=1S/C14H12O3/c15-12-7-5-10(6-8-12)9-11-3-1-2-4-13(11)14(16)17/h1-8,15H,9H2,(H,16,17)
InChI Key:
HKORFDDYEBYGAO-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)Cc1ccccc1C(=O)O
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.079g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.247g/mol
Monoisotopic Mass:
228.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Non-peptidic small-molecule inhibitors of the single-chain hepatitis C virus NS3 protease/NS4A cofactor complex discovered by structure-based NMR screening. | Journal of medicinal chemistry 20040506 |
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