AG000GLS

115315-95-2 | 1H-Pyrazole-3-carboxylic acid, 1-phenyl-, ethyl ester

AG000GLS

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CAS Number	115315-95-2
Catalog Number	AG000GLS(AGN-PC-0LTCT8)
Chemical Name	1H-Pyrazole-3-carboxylic acid, 1-phenyl-, ethyl ester
IUPAC Name	ethyl 1-phenylpyrazole-3-carboxylate
InChI	InChI=1S/C12H12N2O2/c1-2-16-12(15)11-8-9-14(13-11)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChI Key	HNQSUSPWELMLBU-UHFFFAOYSA-N
MDL Number	MFCD16584325
Molecular Formula	C12H12N2O2
Molecular Weight	216.2359
SMILES	CCOC(C1=NN(C2=CC=CC=C2)C=C1)=O
Synonyms	Ethyl 1-phenyl-1H-pyrazole-3-carboxylate, 115315-95-2, 1-Phenyl-1H-pyrazole-3-carboxylic acid ethyl ester, 1H-Pyrazole-3-carboxylic acid, 1-phenyl-, ethyl ester, AC1O4ZY8, SCHEMBL9681520, DTXSID80423718, HNQSUSPWELMLBU-UHFFFAOYSA-N, ACN-P000651, ethyl 1-phenylpyrazole-3-carboxylate, MFCD16584325, ZINC33947584, AKOS022172740, DS-6700, MCULE-1050477031, AJ-86459, AK139699, DA-16809, ST2406848, 4CH-016827, FT-0707761, Z417910728, CID6424672,

Complexity	239
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	216.09g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	216.24g/mol
Monoisotopic Mass	216.09g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	44.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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