AG00HEV3

119-18-6 | 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-phenyl-

AG00HEV3

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CAS Number	119-18-6
Catalog Number	AG00HEV3(AGN-PC-0JL7L2)
Chemical Name	1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-phenyl-
EC Number	204-304-6
IUPAC Name	5-oxo-1-phenyl-4H-pyrazole-3-carboxylic acid
InChI	InChI=1S/C10H8N2O3/c13-9-6-8(10(14)15)11-12(9)7-4-2-1-3-5-7/h1-5H,6H2,(H,14,15)
InChI Key	IMZSHPUSPMOODC-UHFFFAOYSA-N
MDL Number	MFCD00037318
Molecular Formula	C10H8N2O3
Molecular Weight	204.1821
SMILES	O=C(C(C1)=NN(C2=CC=CC=C2)C1=O)O
Synonyms	119-18-6, 5-Oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid, 5-Oxo-1-phenyl-2-pyrazolin-3-carboxylic acid, 1-Phenyl-5-pyrazolone-3-carboxylic Acid, 5-Oxo-1-phenyl-2-pyrazoline-3-carboxylic acid, 5-oxo-1-phenyl-4H-pyrazole-3-carboxylic acid, IMZSHPUSPMOODC-UHFFFAOYSA-N, 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-phenyl-, EINECS 204-304-6, BAS 00613359, 2,5-Disulfobenzaldehyde, AC1Q5QGG, timtec-bb sbb010085, ACMC-1BS6X, AC1L26RH, Oprea1_101347, Oprea1_742320, MLS000713523, SCHEMBL3408946, CHEMBL1577368, CTK0I2033, DTXSID60152276, HMS1672E12, HMS2773A12, KS-000014YH, ANW-43677, MFCD00037318, ZINC12351253, AKOS000301371, 1-Phenyl-3-carboxy-5(4H)-pyrazolone, RTR-003233, TRA0084600, 1-phenyl-3-carboxy-2-pyrazolin-5-one, 1-Phenyl-5-pyrazolone-3-carboxylicAcid, NCGC00245488-01, AN-43293, SMR000273004, ST074000, TR-003233, FT-0080961, FT-0651000, P0222, 1-Phenylimidazol-5(4H)-one-3-carboxylic acid, SR-01000311415, I04-9696, J-004080, SR-01000311415-1, BRD-K15162797-001-07-8, 1H-Pyrazole-3-carboxylicacid, 4,5-dihydro-5-oxo-1-phenyl-, 5-oxo-1-phenyl-4,5-dihydro-1 h-pyrazole-3-carboxylic acid, 1-PHENYL-3-CARBOXY-5-PYRAZOLONE, 1-Phenyl-3-carboxyl-5-pyrazolone, CID67061, AR-1G9280, C10-H8-N2-O3, 1-Phenylpyrazol-5-one-3-carboxylic acid, 1-Phenyl-3-carboxy-5-pyrazolone, 90% - 25G 25g, 12020-58-5,

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	1
Isotope Atom Count	0
Molecular Weight	204.185g/mol
Monoisotopic Mass	204.053g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	70A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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