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88036-08-2 | 1-Naphthalenecarboxylic acid, 2,3-dibenzoyl-1,2-dihydro-4-hydroxy-
CAS No: 88036-08-2 Catalog No: AG004GG3 MDL No:
Product Description
Catalog Number:
AG004GG3
Chemical Name:
1-Naphthalenecarboxylic acid, 2,3-dibenzoyl-1,2-dihydro-4-hydroxy-
CAS Number:
88036-08-2
Molecular Formula:
C25H18O5
Molecular Weight:
398.4074
IUPAC Name:
2-benzoyl-3-[hydroxy(phenyl)methylidene]-4-oxo-1,2-dihydronaphthalene-1-carboxylic acid
InChI:
InChI=1S/C25H18O5/c26-22(15-9-3-1-4-10-15)20-19(25(29)30)17-13-7-8-14-18(17)24(28)21(20)23(27)16-11-5-2-6-12-16/h1-14,19-20,27H,(H,29,30)
InChI Key:
GZKSPDQKGBJGLG-UHFFFAOYSA-N
SMILES:
OC(=O)C1C(C(=O)c2ccccc2)C(=C(c2c1cccc2)O)C(=O)c1ccccc1
Properties
Complexity:
711
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.115g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
398.414g/mol
Monoisotopic Mass:
398.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
4.4
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