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113458-95-0 | 2-Naphthalenecarboxylic acid, 6,7-dihydroxy-
CAS No: 113458-95-0 Catalog No: AG0008NB MDL No:
Product Description
Catalog Number:
AG0008NB
Chemical Name:
2-Naphthalenecarboxylic acid, 6,7-dihydroxy-
CAS Number:
113458-95-0
Molecular Formula:
C11H8O4
Molecular Weight:
204.1788
IUPAC Name:
6,7-dihydroxynaphthalene-2-carboxylic acid
InChI:
InChI=1S/C11H8O4/c12-9-4-6-1-2-7(11(14)15)3-8(6)5-10(9)13/h1-5,12-13H,(H,14,15)
InChI Key:
NEEWJIPREFDATB-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)cc(c(c2)O)O
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.042g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
204.181g/mol
Monoisotopic Mass:
204.042g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Arylamide inhibitors of HIV-1 integrase. | Journal of medicinal chemistry 19970411 |
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