AG001PXQ

15803-27-7 | 1H-Pyrazole-3-carboxylic acid, 4,5-dimethyl-, ethyl ester

AG001PXQ

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CAS Number	15803-27-7
Catalog Number	AG001PXQ(AGN-PC-0NKQZX)
Chemical Name	1H-Pyrazole-3-carboxylic acid, 4,5-dimethyl-, ethyl ester
IUPAC Name	ethyl 4,5-dimethyl-1H-pyrazole-3-carboxylate
InChI	InChI=1S/C8H12N2O2/c1-4-12-8(11)7-5(2)6(3)9-10-7/h4H2,1-3H3,(H,9,10)
InChI Key	NFKJSKVAOLQEDS-UHFFFAOYSA-N
MDL Number	MFCD24387107
Molecular Formula	C8H12N2O2
Molecular Weight	168.1931
SMILES	O=C(C1=NNC(C)=C1C)OCC
Synonyms	Ethyl 4,5-dimethyl-1H-pyrazole-3-carboxylate, 15803-27-7, Ethyl 3,4-dimethyl-1H-pyrazole-5-carboxylate, 35313-50-9, SCHEMBL19158730, DTXSID20577320, MFCD22572310, MFCD24387107, ZINC34725895, DS-5710, AJ-89996, AK137160, Ethyl 4,5-Dimethylpyrazole-3-carboxylate, SY046103, CS-0045364, MFCD24387107 (95%), 1H-Pyrazole-3-carboxylic acid, 4,5-dimethyl-, ethyl ester,

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	1
Isotope Atom Count	0
Molecular Weight	168.196g/mol
Monoisotopic Mass	168.09g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	55A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

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