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88585-11-9 | 1H-Pyrazole-4-carboxylic acid, 2,3-dihydro-3-oxo-1-phenyl-
CAS No: 88585-11-9 Catalog No: AG004BNQ MDL No:
Product Description
Catalog Number:
AG004BNQ
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 2,3-dihydro-3-oxo-1-phenyl-
CAS Number:
88585-11-9
Molecular Formula:
C10H8N2O3
Molecular Weight:
204.1821
IUPAC Name:
5-oxo-2-phenyl-1H-pyrazole-4-carboxylic acid
InChI:
InChI=1S/C10H8N2O3/c13-9-8(10(14)15)6-12(11-9)7-4-2-1-3-5-7/h1-6H,(H,11,13)(H,14,15)
InChI Key:
OXAOVSVRFLXCBS-UHFFFAOYSA-N
SMILES:
OC(=O)c1cn([nH]c1=O)c1ccccc1
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.053g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
204.185g/mol
Monoisotopic Mass:
204.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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