AG003Q0B

5744-51-4 | ETHYL 1,5-DIMETHYL-1H-PYRAZOLE-3-CARBOXYLATE

AG003Q0B

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CAS Number	5744-51-4
Catalog Number	AG003Q0B(AGN-PC-0JMQ7O)
Chemical Name	ETHYL 1,5-DIMETHYL-1H-PYRAZOLE-3-CARBOXYLATE
IUPAC Name	ethyl 1,5-dimethylpyrazole-3-carboxylate
InChI	InChI=1S/C8H12N2O2/c1-4-12-8(11)7-5-6(2)10(3)9-7/h5H,4H2,1-3H3
InChI Key	OJPXVXXMBWKEAT-UHFFFAOYSA-N
MDL Number	MFCD00085071
Molecular Formula	C8H12N2O2
Molecular Weight	168.1931
SMILES	O=C(C1=NN(C)C(C)=C1)OCC
Synonyms	ethyl 1,5-dimethyl-1H-pyrazole-3-carboxylate, 5744-51-4, ethyl 1,5-dimethylpyrazole-3-carboxylate, 1,5-dimethyl-3-ethoxycarbonylpyrazole, ethyl1,5-dimethyl-1H-pyrazole-3-carboxylate, 1H-Pyrazole-3-carboxylic acid, 1,5-dimethyl-, ethyl ester, 1,5-dimethylpyrazole-3-carboxylic acid ethyl ester, 1,5-dimethyl-1 h-pyrazole-3-carboxylic acid ethyl ester, 1,5-Dimethyl-1H-pyrazole-3-carboxylic acid ethyl ester, ACMC-209lya, Maybridge1_008890, AC1L3D4D, AC1Q34EU, KSC606Q7N, SCHEMBL1233517, CTK5A6876, HMS566M02, DTXSID50206055, OJPXVXXMBWKEAT-UHFFFAOYSA-N, ZINC124185, ALBB-014300, KS-000006RV, ANW-32720, BBL008588, MFCD00085071, SBB020309, STK301581, TD8045, AKOS000307990, CS-W002351, LS20810, MCULE-9556898293, PB20908, RP23098, SDCCGMLS-0066258.P001, SS-3184, TRA0004506, VP20139, AC-28097, AJ-11860, AK-41321, AM808060, CJ-00933, Ethyl-1,5-dimethylpyrazole-3-carboxylate, SC-46049, SY019793, ZB004285, AB0001116, DB-013394, TC-064598, 4CH-000481, E1002, FT-0625832, ST24030422, ST45061299, W7079, C-8848, MFCD00085071 (97+%), I11-0316, J-520512, Z796924726, 1,5-DIMETHYL-1 H-PYRAZOLE-3-CARBOXYLIC ACID ETHYL, 1H-Pyrazole-3-carboxylicacid, 1,5-dimethyl-, ethyl ester, C8H12N2O2, CID138577, ZINC00124185, ACN-025902, A8187, C2673, Ethyl 1,5-dimethyl-1H-pyrazole-3-carboxylate, 98% - 1G 1g, 351003-60-6,

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	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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