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1175-41-3 | 2-Naphthalenecarboxylic acid, 4,4'-methylenebis[1-hydroxy-
CAS No: 1175-41-3 Catalog No: AG000EDI MDL No:
Product Description
Catalog Number:
AG000EDI
Chemical Name:
2-Naphthalenecarboxylic acid, 4,4'-methylenebis[1-hydroxy-
CAS Number:
1175-41-3
Molecular Formula:
C23H16O6
Molecular Weight:
388.3695
IUPAC Name:
4-[(3-carboxy-4-hydroxynaphthalen-1-yl)methyl]-1-hydroxynaphthalene-2-carboxylic acid
InChI:
InChI=1S/C23H16O6/c24-20-16-7-3-1-5-14(16)12(10-18(20)22(26)27)9-13-11-19(23(28)29)21(25)17-8-4-2-6-15(13)17/h1-8,10-11,24-25H,9H2,(H,26,27)(H,28,29)
InChI Key:
XACRYJAWPVFHLE-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(Cc2cc(C(=O)O)c(c3c2cccc3)O)c2c(c1O)cccc2
NSC Number:
624010
Properties
Complexity:
569
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.095g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
388.375g/mol
Monoisotopic Mass:
388.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
Literature
| Title | Journal |
|---|---|
| Synthesis and anti-HIV activities of low molecular weight aurintricarboxylic acid fragments and related compounds. | Journal of medicinal chemistry 19910101 |
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