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30957-62-1 | Benzoic acid, 4-[2-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl]-2-hydroxy-
CAS No: 30957-62-1 Catalog No: AG0031R0 MDL No:
Product Description
Catalog Number:
AG0031R0
Chemical Name:
Benzoic acid, 4-[2-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl]-2-hydroxy-
CAS Number:
30957-62-1
Molecular Formula:
C17H14N4O4
Molecular Weight:
338.3175
IUPAC Name:
2-hydroxy-4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzoic acid
InChI:
InChI=1S/C17H14N4O4/c1-10-15(16(23)21(20-10)12-5-3-2-4-6-12)19-18-11-7-8-13(17(24)25)14(22)9-11/h2-9,15,22H,1H3,(H,24,25)
InChI Key:
CHZMYYUAIICYSZ-UHFFFAOYSA-N
SMILES:
CC1=NN(C(=O)C1N=Nc1ccc(c(c1)O)C(=O)O)c1ccccc1
Properties
Complexity:
585
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.102g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
338.323g/mol
Monoisotopic Mass:
338.102g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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