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16094-44-3 | Benzoic acid, 2-hydroxy-5-(phenylmethoxy)-
CAS No: 16094-44-3 Catalog No: AG001VIE MDL No:MFCD11543482
Product Description
Catalog Number:
AG001VIE
Chemical Name:
Benzoic acid, 2-hydroxy-5-(phenylmethoxy)-
CAS Number:
16094-44-3
Molecular Formula:
C14H12O4
Molecular Weight:
244.2427
MDL Number:
MFCD11543482
IUPAC Name:
2-hydroxy-5-phenylmethoxybenzoic acid
InChI:
InChI=1S/C14H12O4/c15-13-7-6-11(8-12(13)14(16)17)18-9-10-4-2-1-3-5-10/h1-8,15H,9H2,(H,16,17)
InChI Key:
PNERJPORNFOLIT-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(OCc2ccccc2)ccc1O
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.074g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.246g/mol
Monoisotopic Mass:
244.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Literature
| Title | Journal |
|---|---|
| Design of HIV-1 integrase inhibitors targeting the catalytic domain as well as its interaction with LEDGF/p75: a scaffold hopping approach using salicylate and catechol groups. | Bioorganic & medicinal chemistry 20110815 |
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