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85090-56-8 | Benzoic acid, 2-[(1-benzoyl-2-oxopropylidene)hydrazino]-
CAS No: 85090-56-8 Catalog No: AG004XNK MDL No:
Product Description
Catalog Number:
AG004XNK
Chemical Name:
Benzoic acid, 2-[(1-benzoyl-2-oxopropylidene)hydrazino]-
CAS Number:
85090-56-8
Molecular Formula:
C17H14N2O4
Molecular Weight:
310.3041
IUPAC Name:
2-[[(Z)-1-hydroxy-3-oxo-1-phenylbut-1-en-2-yl]diazenyl]benzoic acid
InChI:
InChI=1S/C17H14N2O4/c1-11(20)15(16(21)12-7-3-2-4-8-12)19-18-14-10-6-5-9-13(14)17(22)23/h2-10,21H,1H3,(H,22,23)/b16-15-,19-18?
InChI Key:
LWKCTSQIFJKMKM-UESMCNLQSA-N
SMILES:
CC(=O)C(=NNc1ccccc1C(=O)O)C(=O)c1ccccc1
Properties
Complexity:
507
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
310.095g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
310.309g/mol
Monoisotopic Mass:
310.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
99.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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