AG0014IG

133261-06-0 | 1H-Pyrazole-3-carboxylic acid, 5-cyclopropyl-, ethyl ester

AG0014IG

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CAS Number	133261-06-0
Catalog Number	AG0014IG(AGN-PC-0M79UW)
Chemical Name	1H-Pyrazole-3-carboxylic acid, 5-cyclopropyl-, ethyl ester
IUPAC Name	ethyl 5-cyclopropyl-1H-pyrazole-3-carboxylate
InChI	InChI=1S/C9H12N2O2/c1-2-13-9(12)8-5-7(10-11-8)6-3-4-6/h5-6H,2-4H2,1H3,(H,10,11)
InChI Key	KGGGSOGFJKVURE-UHFFFAOYSA-N
MDL Number	MFCD08277218
Molecular Formula	C9H12N2O2
Molecular Weight	180.2038
SMILES	O=C(C1=NNC(C2CC2)=C1)OCC
Synonyms	ethyl 5-cyclopropyl-1H-pyrazole-3-carboxylate, 133261-06-0, 1H-Pyrazole-3-carboxylic acid, 5-cyclopropyl-, ethyl ester, ethyl 3-cyclopropyl-1H-pyrazole-5-carboxylate, 5-Cyclopropyl-1H-pyrazole-3-carboxylic acid ethyl ester, 5-cyclopropyl-2H-pyrazole-3-carboxylic acid ethyl ester, AC1OXTZY, AC1Q34FR, ARONIS24023, SCHEMBL1281530, SCHEMBL19100014, CTK6F5795, DTXSID70429022, KGGGSOGFJKVURE-UHFFFAOYSA-N, ACN-P001023, KS-000008LK, ZINC6658372, BBL021587, MFCD08277218, STK894300, AKOS000135959, AKOS005264669, MCULE-9718690883, NE26646, SB22095, KS-000046H4, AJ-56512, AM803161, CJ-13052, ethyl 5-cyclopropylpyrazole-3-carboxylate, AB0055836, CS-0049440, FT-0730319, ST45053205, EN300-59056, Q-5037, ETHYL 5-CYCLOPROPYL-2H-PYRAZOLE-3-CARBOXYLATE, I14-12157, 3-Cyclopropyl-1H-pyrazole-5-carboxylic acid ethyl ester, 5-Cyclopropyl-1H-pyrazole-3-carboxylic acid ethyl ester, AldrichCPR, ZINC06658372, CID8027609, 1036733-11-5,

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	1.3

GHS Hazard and Precautionary Statements

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

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