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205522-30-1 | 2-Naphthalenecarboxylic acid, 3-hydroxy-7-[(phenylamino)carbonyl]-
CAS No: 205522-30-1 Catalog No: AG002A56 MDL No:
Product Description
Catalog Number:
AG002A56
Chemical Name:
2-Naphthalenecarboxylic acid, 3-hydroxy-7-[(phenylamino)carbonyl]-
CAS Number:
205522-30-1
Molecular Formula:
C18H13NO4
Molecular Weight:
307.3001
IUPAC Name:
3-hydroxy-7-(phenylcarbamoyl)naphthalene-2-carboxylic acid
InChI:
InChI=1S/C18H13NO4/c20-16-10-11-6-7-12(8-13(11)9-15(16)18(22)23)17(21)19-14-4-2-1-3-5-14/h1-10,20H,(H,19,21)(H,22,23)
InChI Key:
KNUXYEPUTIOWIU-UHFFFAOYSA-N
SMILES:
O=C(c1ccc2c(c1)cc(c(c2)O)C(=O)O)Nc1ccccc1
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.084g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
307.305g/mol
Monoisotopic Mass:
307.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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