AG008D5I

88398-73-6 | 1H-Pyrazole-5-carboxylicacid, 1-ethyl-3-methyl-, methyl ester

AG008D5I

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CAS Number	88398-73-6
Catalog Number	AG008D5I(AGN-PC-03LD02)
Chemical Name	1H-Pyrazole-5-carboxylicacid, 1-ethyl-3-methyl-, methyl ester
IUPAC Name	methyl 2-ethyl-5-methylpyrazole-3-carboxylate
InChI	InChI=1S/C8H12N2O2/c1-4-10-7(8(11)12-3)5-6(2)9-10/h5H,4H2,1-3H3
InChI Key	QQCDTXYUOXYOTM-UHFFFAOYSA-N
MDL Number	MFCD00173774
Molecular Formula	C8H12N2O2
Molecular Weight	168.1931
SMILES	CCn1c(cc(n1)C)C(=O)OC
Synonyms	methyl 1-ethyl-3-methyl-1H-pyrazole-5-carboxylate, 88398-73-6, 1H-Pyrazole-5-carboxylicacid, 1-ethyl-3-methyl-, methyl ester, methyl 1-ethyl-3-methylpyrazole-5-carboxylate, SCHEMBL106285, CTK5F9772, DTXSID30623125, QQCDTXYUOXYOTM-UHFFFAOYSA-N, ZINC2555773, 7370AH, KM2607, MFCD00173774, SBB025281, STK352227, AKOS005167895, MCULE-4021731573, AS-46766, ST45134011, methyl 2-ethyl-5-methylpyrazole-3-carboxylate, methyl 1-ethyl-3-methylpyrazol-5-ylcarboxylate, C8H12N2O2, METHYL1-ETHYL-3-METHYL-1H-PYRAZOLE-5-CARBOXYLATE,

Complexity	172
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.09g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	168.196g/mol
Monoisotopic Mass	168.09g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	44.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

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Hazard statements	H302
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