AG00H0Z3

88529-79-7 | 1H-Pyrazole-3-carboxylicacid,1-methyl-,ethylester(9CI)

AG00H0Z3

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CAS Number	88529-79-7
Catalog Number	AG00H0Z3(AGN-PC-0N704C)
Chemical Name	1H-Pyrazole-3-carboxylicacid,1-methyl-,ethylester(9CI)
IUPAC Name	ethyl 1-methylpyrazole-3-carboxylate
InChI	InChI=1S/C7H10N2O2/c1-3-11-7(10)6-4-5-9(2)8-6/h4-5H,3H2,1-2H3
InChI Key	QSICLAHSIQPDMB-UHFFFAOYSA-N
MDL Number	MFCD04967314
Molecular Formula	C7H10N2O2
Molecular Weight	154.1665
SMILES	O=C(C1=NN(C)C=C1)OCC
Synonyms	ethyl 1-methyl-1H-pyrazole-3-carboxylate, 88529-79-7, Ethyl 1-methylpyrazole-3-carboxylate, 1-methyl-1H-pyrazole-3-carboxylic acid ethyl ester, 1H-Pyrazole-3-carboxylic acid, 1-methyl-, ethyl ester, 1H-Pyrazole-3-carboxylicacid,1-methyl-,ethylester(9CI), SCHEMBL10817921, CTK6F6941, KS-00000PEW, DTXSID40441978, QSICLAHSIQPDMB-UHFFFAOYSA-N, ACN-P000649, ALBB-022830, ZINC2534332, MFCD04967314, SBB030498, AKOS000305869, DS-4975, MCULE-1288818696, AJ-38606, AK135365, SC-93088, DB-077871, CS-0044512, FT-0653032, R8542, ST24046742, ST51057292, 1-methyl-3-pyrazolecarboxylic acid ethyl ester, A842673, 1H-Pyrazole-3-carboxylicacid,1-methyl-,ethylester(, I14-0433, ACN-001383, CID10582985, 1H-Pyrazole-3-carboxylic acid, 1-methyl-, ethyl ester (9CI),

Complexity	149
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	154.074g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	154.169g/mol
Monoisotopic Mass	154.074g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	44.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

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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