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27699-94-1 | Benzoic acid, 3-[(3,4-dihydro-3,4-dioxo-1-naphthalenyl)amino]-
CAS No: 27699-94-1 Catalog No: AG002UID MDL No:
Product Description
Catalog Number:
AG002UID
Chemical Name:
Benzoic acid, 3-[(3,4-dihydro-3,4-dioxo-1-naphthalenyl)amino]-
CAS Number:
27699-94-1
Molecular Formula:
C17H11NO4
Molecular Weight:
293.2735
IUPAC Name:
3-[(3,4-dioxonaphthalen-1-yl)amino]benzoic acid
InChI:
InChI=1S/C17H11NO4/c19-15-9-14(12-6-1-2-7-13(12)16(15)20)18-11-5-3-4-10(8-11)17(21)22/h1-9,18H,(H,21,22)
InChI Key:
WYIZNABLHZTYJV-UHFFFAOYSA-N
SMILES:
O=C1C=C(Nc2cccc(c2)C(=O)O)c2c(C1=O)cccc2
NSC Number:
117023
Properties
Complexity:
525
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.069g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
293.278g/mol
Monoisotopic Mass:
293.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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