AG002SN3

26308-40-7 | 1H-Pyrazole-3-carboxylic acid, 5-ethyl-, ethyl ester

AG002SN3

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CAS Number	26308-40-7
Catalog Number	AG002SN3(AGN-PC-0M79V1)
Chemical Name	1H-Pyrazole-3-carboxylic acid, 5-ethyl-, ethyl ester
IUPAC Name	ethyl 5-ethyl-1H-pyrazole-3-carboxylate
InChI	InChI=1S/C8H12N2O2/c1-3-6-5-7(10-9-6)8(11)12-4-2/h5H,3-4H2,1-2H3,(H,9,10)
InChI Key	YFONSBZEAHNVCW-UHFFFAOYSA-N
MDL Number	MFCD08277223
Molecular Formula	C8H12N2O2
Molecular Weight	168.1931
SMILES	C(C)C1=NNC(=C1)C(=O)OCC
Synonyms	Ethyl 3-ethyl-1H-pyrazole-5-carboxylate, ethyl 5-ethyl-1H-pyrazole-3-carboxylate, 26308-40-7, 885319-49-3, 3-Ethyl-1H-pyrazole-5-carboxylic acid ethyl ester, 1H-Pyrazole-3-carboxylic acid, 5-ethyl-, ethyl ester, 3-ETHYL-1H-PYRAZOLE-5-CARBOXYLICACIDETHYLESTER, 5-ethyl-1h-pyrazole-3-carboxylic acid ethyl ester, AC1OXU0D, AC1Q34FV, SCHEMBL1233899, CTK0J9719, CTK6F7431, YFONSBZEAHNVCW-UHFFFAOYSA-N, 4274AC, BBL021597, CE-827, MFCD08277223, RW3759, STK894310, ZINC14985122, AKOS003672614, AKOS005144269, MCULE-1241334269, AJ-66324, DA-07560, QC-10599, SC-70170, AB0098154, 4CH-003413, FT-0695582, FT-0751065, H8215, ST24046953, EN300-60984, W-3162, Z255150192, C8H12N2O2, ZINC06658377, CID8027614, 5-Ethyl-2H-pyrazole-3-carboxylicacidethylester,

Complexity	161
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	4
Topological Polar Surface Area	55A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

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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