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1151-15-1 | Benzoic acid, 2-(4-methoxybenzoyl)-
CAS No: 1151-15-1 Catalog No: AG000FWJ MDL No:MFCD00278217
Product Description
Catalog Number:
AG000FWJ
Chemical Name:
Benzoic acid, 2-(4-methoxybenzoyl)-
CAS Number:
1151-15-1
Molecular Formula:
C15H12O4
Molecular Weight:
256.2534
MDL Number:
MFCD00278217
IUPAC Name:
2-(4-methoxybenzoyl)benzoic acid
InChI:
InChI=1S/C15H12O4/c1-19-11-8-6-10(7-9-11)14(16)12-4-2-3-5-13(12)15(17)18/h2-9H,1H3,(H,17,18)
InChI Key:
UIUCGMLLTRXRBF-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)c1ccccc1C(=O)O
UNII:
92G674420E
NSC Number:
28925
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.074g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.257g/mol
Monoisotopic Mass:
256.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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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