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132725-90-7 | 2-Naphthalenecarboxylic acid, 7-methoxy-4-phenyl-
CAS No: 132725-90-7 Catalog No: AG001128 MDL No:
Product Description
Catalog Number:
AG001128
Chemical Name:
2-Naphthalenecarboxylic acid, 7-methoxy-4-phenyl-
CAS Number:
132725-90-7
Molecular Formula:
C18H14O3
Molecular Weight:
278.3020
IUPAC Name:
7-methoxy-4-phenylnaphthalene-2-carboxylic acid
InChI:
InChI=1S/C18H14O3/c1-21-15-7-8-16-13(10-15)9-14(18(19)20)11-17(16)12-5-3-2-4-6-12/h2-11H,1H3,(H,19,20)
InChI Key:
SEFNGLMUROBBLU-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)cc(cc2c1ccccc1)C(=O)O
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.094g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.307g/mol
Monoisotopic Mass:
278.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
Literature
| Title | Journal |
|---|---|
| The identification of 4,7-disubstituted naphthoic acid derivatives as UDP-competitive antagonists of P2Y14. | Bioorganic & medicinal chemistry letters 20110515 |
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