AG000MIO

1246471-38-4 | 1H-Pyrazole-4-carboxylic acid, 3-cyclopropyl-, ethyl ester

AG000MIO

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CAS Number	1246471-38-4
Catalog Number	AG000MIO(AGN-PC-0WAD4K)
Chemical Name	1H-Pyrazole-4-carboxylic acid, 3-cyclopropyl-, ethyl ester
IUPAC Name	ethyl 5-cyclopropyl-1H-pyrazole-4-carboxylate
InChI	InChI=1S/C9H12N2O2/c1-2-13-9(12)7-5-10-11-8(7)6-3-4-6/h5-6H,2-4H2,1H3,(H,10,11)
InChI Key	HGCJVGPZFAUPOM-UHFFFAOYSA-N
MDL Number	MFCD17171378
Molecular Formula	C9H12N2O2
Molecular Weight	180.2038
SMILES	O=C(C1=CNN=C1C2CC2)OCC
Synonyms	ethyl 3-cyclopropylpyrazole-4-carboxylate, 1246471-38-4, Ethyl 3-cyclopropyl-1H-pyrazole-4-carboxylate, ethyl 5-cyclopropyl-1h-pyrazole-4-carboxylate, SCHEMBL13506034, HGCJVGPZFAUPOM-UHFFFAOYSA-N, 6736AJ, MFCD17171378, ZINC38580619, AKOS012538056, AKOS024262364, KS-000005N4, AJ-96628, AJ-96629, AK158132, BBV-37115292, CJ-19555, CS-11219, SY010186, AX8292022, DB-062295, TC-308245, CS-0049484, FT-0735088, MFCD17171378 (97+%), 3-Cyclopropyl-1H-pyrazole-4-carboxylic acid ethyl ester, 1H-Pyrazole-4-carboxylic acid, 3-cyclopropyl-, ethyl ester, C9H12N2O2, 2905-62-6,

Complexity	204
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.09g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	180.207g/mol
Monoisotopic Mass	180.09g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	55A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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