AG0075LH

186551-70-2 | tert-Butyl 3-methylpyrazole-1-carboxylate

AG0075LH

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CAS Number	186551-70-2
Catalog Number	AG0075LH(AGN-PC-034PO8)
Chemical Name	tert-Butyl 3-methylpyrazole-1-carboxylate
IUPAC Name	tert-butyl 3-methylpyrazole-1-carboxylate
InChI	InChI=1S/C9H14N2O2/c1-7-5-6-11(10-7)8(12)13-9(2,3)4/h5-6H,1-4H3
InChI Key	ODYFCIJRCTUHSV-UHFFFAOYSA-N
MDL Number	MFCD21609566
Molecular Formula	C9H14N2O2
Molecular Weight	182.2197
SMILES	O=C(N1N=C(C)C=C1)OC(C)(C)C
Synonyms	186551-70-2, tert-Butyl 3-methyl-1H-pyrazole-1-carboxylate, tert-Butyl 3-methylpyrazole-1-carboxylate, N-tert-butyloxycarbonyl-3-methylpyrazole, ACMC-209eod, SCHEMBL2013279, CTK8B1074, DTXSID10610295, ODYFCIJRCTUHSV-UHFFFAOYSA-N, ANW-23291, MFCD21609566, ZINC82046441, N-t-butyloxycarbonyl-3-methylpyrazole, FCH1566113, AK-95032, AJ-124138, AX8239766, TC-112036, V3975, K-5610, 3-Methylpyrazole-1-carboxylic Acid Tert-Butyl Ester, 1,1-Dimethylethyl 3-methyl-1H-pyrazole-1-carboxylate, 3-methyl pyrazole 1-carboxylic acid tert-butyl ester, C9H14N2O2,

Complexity	198
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	182.106g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	182.223g/mol
Monoisotopic Mass	182.106g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	44.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P264-P270-P301+P312-P330-P501
UN Code

Certificate of Analysis

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