AG005ECH

7510-56-7 | 4-Phenyl-1H-pyrazole-3-carboxylic acid

AG005ECH

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CAS Number	7510-56-7
Catalog Number	AG005ECH(AGN-PC-0OHKZ2)
Chemical Name	4-Phenyl-1H-pyrazole-3-carboxylic acid
IUPAC Name	4-phenyl-1H-pyrazole-5-carboxylic acid
InChI	InChI=1S/C10H8N2O2/c13-10(14)9-8(6-11-12-9)7-4-2-1-3-5-7/h1-6H,(H,11,12)(H,13,14)
InChI Key	LVFUUWLMDUOBLC-UHFFFAOYSA-N
MDL Number	MFCD00230883
Molecular Formula	C10H8N2O2
Molecular Weight	188.1827
NSC Number	405733
SMILES	OC(C1C(C2=CC=CC=C2)=CNN=1)=O
Synonyms	4-PHENYL-1H-PYRAZOLE-3-CARBOXYLIC ACID, 7510-56-7, 4-phenyl-1H-pyrazole-5-carboxylic acid, 856061-36-4, NSC405733, phenylpyrazolecarboxylic acid, SCHEMBL948199, AC1L86Q2, CTK2H8225, DTXSID60324097, LVFUUWLMDUOBLC-UHFFFAOYSA-N, ZINC5479718, 1682AC, ANW-69978, AKOS016001624, AKOS022178666, FCH2241900, NSC-405733, 1H-Pyrazole-3-carboxylicacid, 4-phenyl-, AJ-84366, 1H-Pyrazole-3-carboxylic acid, 4-phenyl-, AX8283588, DB-074945, FT-0716587, ST24023639, C10H8N2O2, CID347194, 4-Phenyl-1H-pyrazole-3-carboxylicacid,

Complexity	214
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	188.059g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	188.186g/mol
Monoisotopic Mass	188.059g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	66A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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