AG000670

10199-57-2 | 1H-Pyrazole-3-carboxylic acid, 5-methyl-1-phenyl-

AG000670

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CAS Number	10199-57-2
Catalog Number	AG000670(AGN-PC-0JV3O3)
Chemical Name	1H-Pyrazole-3-carboxylic acid, 5-methyl-1-phenyl-
IUPAC Name	5-methyl-1-phenylpyrazole-3-carboxylic acid
InChI	InChI=1S/C11H10N2O2/c1-8-7-10(11(14)15)12-13(8)9-5-3-2-4-6-9/h2-7H,1H3,(H,14,15)
InChI Key	JAUNWUAOFPNAKK-UHFFFAOYSA-N
MDL Number	MFCD00124910
Molecular Formula	C11H10N2O2
Molecular Weight	202.2093
SMILES	O=C(C1=NN(C2=CC=CC=C2)C(C)=C1)O
Synonyms	5-methyl-1-phenyl-1H-pyrazole-3-carboxylic acid, 10199-57-2, 5-methyl-1-phenylpyrazole-3-carboxylic acid, Maybridge4_002938, AC1Q5UWA, AC1LF6G5, AC1Q2H9D, SCHEMBL1259296, CHEMBL3960344, CTK0H1732, ZINC75561, DTXSID80351360, JAUNWUAOFPNAKK-UHFFFAOYSA-N, HMS1529F12, CCG-1656, 0533AA, BBL012427, MFCD00124910, SBB045236, STK392496, AKOS000272888, AM80889, FS-2105, MCULE-8899827823, KS-00000F75, NCGC00176390-01, AJ-10356, AK126014, AB0110125, DB-058746, TR-000473, BB 0219153, FT-0678163, ST24044857, ST50532723, EN300-41466, K-0271, 1-Phenyl-5-methyl-1H-pyrazole-3-carboxylic acid, 1H-Pyrazole-3-carboxylicacid, 5-methyl-1-phenyl-, AE-641/13303057, 1H-Pyrazole-3-carboxylic acid, 5-methyl-1-phenyl-, I04-4558, SR-01000638324-1, BRD-K08658685-001-01-2, F2164-0026, C11H10N2O2, AR-1G8793, CID698388, ACN-046606, 5-METHYL-1-PHENYL-1H-PYRAZOLE-3-CARBOXYLICACID, 102115-02-6,

Complexity	239
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	202.074g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	202.213g/mol
Monoisotopic Mass	202.074g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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