AG0014ID

133261-10-6 | Ethyl 3-(tert-butyl)-1-methyl-1h-pyrazole-5-carboxylate

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CAS Number	133261-10-6
Catalog Number	AG0014ID(AGN-PC-0KLA9G)
Chemical Name	Ethyl 3-(tert-butyl)-1-methyl-1h-pyrazole-5-carboxylate
IUPAC Name	ethyl 5-tert-butyl-2-methylpyrazole-3-carboxylate
InChI	InChI=1S/C11H18N2O2/c1-6-15-10(14)8-7-9(11(2,3)4)12-13(8)5/h7H,6H2,1-5H3
InChI Key	JCOHRMJIHAFFBC-UHFFFAOYSA-N
MDL Number	MFCD00085059
Molecular Formula	C11H18N2O2
Molecular Weight	210.2728
SMILES	O=C(C1=CC(C(C)(C)C)=NN1C)OCC
Synonyms	133261-10-6, ethyl 3-(tert-butyl)-1-methyl-1H-pyrazole-5-carboxylate, Ethyl 3-tert-Butyl-1-methylpyrazole-5-carboxylate, ethyl 3-tert-butyl-1-methyl-1H-pyrazole-5-carboxylate, ethyl 5-tert-butyl-2-methylpyrazole-3-carboxylate, 1H-Pyrazole-5-carboxylicacid, 3-(1,1-dimethylethyl)-1-methyl-, ethyl ester, ACMC-1C1EZ, AC1ME239, SCHEMBL2449044, CTK4B8446, KS-00000BMV, DTXSID50384064, JCOHRMJIHAFFBC-UHFFFAOYSA-N, ZINC166089, ACN-P001113, MFCD00085059, SBB094368, AKOS015908776, TRA0021541, AJ-16466, CJ-02307, SY016923, ZB008580, TC-308262, FT-0626001, K-4183, Ethyl3-tert-Butyl-1-methylpyrazole-5-carboxylate, MFCD00085059 (97+%), ethyl 3-(tert-butyl)-1-methylpyrazole-5-carboxylate, I14-34822, 5-tert-butyl-2-methyl-pyrazole-3-carboxylic acid ethyl ester, 5-tert-Butyl-2-methyl-2H-pyrazole-3-carboxylic acid ethyl ester, 1H-Pyrazole-5-carboxylic acid, 3-(1,1-dimethylethyl)-1-methyl-, ethyl ester, ZINC00166089, CID2799344, 4499-86-9,

Complexity	235
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	210.137g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	210.277g/mol
Monoisotopic Mass	210.137g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	44.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

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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