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30926-22-8 | Benzoic acid, 4-[2-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl]-
CAS No: 30926-22-8 Catalog No: AG0031OT MDL No:
Product Description
Catalog Number:
AG0031OT
Chemical Name:
Benzoic acid, 4-[2-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl]-
CAS Number:
30926-22-8
Molecular Formula:
C17H14N4O3
Molecular Weight:
322.3181
IUPAC Name:
4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzoic acid
InChI:
InChI=1S/C17H14N4O3/c1-11-15(16(22)21(20-11)14-5-3-2-4-6-14)19-18-13-9-7-12(8-10-13)17(23)24/h2-10,15H,1H3,(H,23,24)
InChI Key:
RCYTWTBFGNSMQC-UHFFFAOYSA-N
SMILES:
CC1=NN(C(=O)C1N=Nc1ccc(cc1)C(=O)O)c1ccccc1
EC Number:
250-392-4
Properties
Complexity:
546
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.107g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.324g/mol
Monoisotopic Mass:
322.107g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
94.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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