AG003QBG

6076-12-6 | Ethyl 4-methyl-1H-pyrazole-3-carboxylate

AG003QBG

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CAS Number	6076-12-6
Catalog Number	AG003QBG(AGN-PC-0OD6AH)
Chemical Name	Ethyl 4-methyl-1H-pyrazole-3-carboxylate
IUPAC Name	ethyl 4-methyl-1H-pyrazole-5-carboxylate
InChI	InChI=1S/C7H10N2O2/c1-3-11-7(10)6-5(2)4-8-9-6/h4H,3H2,1-2H3,(H,8,9)
InChI Key	QIBGZMYYGTXSQD-UHFFFAOYSA-N
MDL Number	MFCD16619879
Molecular Formula	C7H10N2O2
Molecular Weight	154.1665
SMILES	O=C(C1=NNC=C1C)OCC
Synonyms	ethyl 4-methyl-1H-pyrazole-5-carboxylate, 6076-12-6, Ethyl 4-methyl-1H-pyrazole-3-carboxylate, Ethyl 4-methylpyrazole-3-carboxylate, 856061-38-6, 1H-Pyrazole-3-carboxylic acid, 4-methyl-, ethyl ester, AK128360, ACMC-2097il, 1H-Pyrazole-3-carboxylicacid,4-methyl-,ethylester, SCHEMBL719025, SCHEMBL15659148, CTK2E9209, KS-00000DQJ, KS-00001KAL, QIBGZMYYGTXSQD-UHFFFAOYSA-N, 3300AC, ANW-14011, ANW-74893, MFCD11112107, MFCD16619879, ZINC39643159, AKOS006307191, AKOS015902680, CS-W022694, FS-3592, MP-0360, QC-3801, SB20479, TRA0071239, CJ-20005, QC-10879, SC-89338, SY008322, ETHYL4-METHYLPYRAZOLE-3-CARBOXYLATE, AB1010307, AJ-100488, AX8215979, ST2413008, TC-102756, TC-163638, 4CH-010702, AM20100477, FT-0712482, Z4932, MFCD16619879 (97+%), 4-Methyl-1H-pyrazole-3-carboxylic acid ethyl ester, 4-Methyl-1H-pyrazole-5-carboxylic acid ethyl ester, 4-Methyl-2H-pyrazole-3-carboxylic acid ethyl ester, I14-20207, C7H10N2O2,

Complexity	149
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	154.074g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	154.169g/mol
Monoisotopic Mass	154.074g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	55A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

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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