AG003QBD

40611-85-6 | Ethyl 4-methyl-1H-pyrrole-2-carboxylate

AG003QBD

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CAS Number	40611-85-6
Catalog Number	AG003QBD(AGN-PC-0JU8IZ)
Chemical Name	Ethyl 4-methyl-1H-pyrrole-2-carboxylate
IUPAC Name	ethyl 4-methyl-1H-pyrrole-2-carboxylate
InChI	InChI=1S/C8H11NO2/c1-3-11-8(10)7-4-6(2)5-9-7/h4-5,9H,3H2,1-2H3
InChI Key	RWFKYBVNHRKZSN-UHFFFAOYSA-N
MDL Number	MFCD00191668
Molecular Formula	C8H11NO2
Molecular Weight	153.1784
SMILES	CC=1C=C(NC1)C(=O)OCC
Synonyms	40611-85-6, ethyl 4-methyl-1H-pyrrole-2-carboxylate, Ethyl 4-Methyl-2-pyrrolecarboxylate, 4-Methyl-2-pyrrolecarboxylic Acid Ethyl Ester, 4-Methyl-1H-pyrrole-2-carboxylic acid ethyl ester, Ethyl 4-methylpyrrole-2-carboxylate, AK-49770, 1H-Pyrrole-2-carboxylic acid, 4-methyl-, ethyl ester, PubChem22960, ACMC-1AOJR, 3-methyl-5-carbethoxypyrrole, AC1LD722, SCHEMBL2148753, CTK4I3429, DTXSID50349153, RWFKYBVNHRKZSN-UHFFFAOYSA-N, Ethyl4-Methyl-2-pyrrolecarboxylate, KS-00000BK8, ZINC2556934, ANW-29452, FCH917712, MFCD00191668, AKOS006229980, CS-W018073, FS-2393, LS40876, RTR-016214, TRA0091868, ethyl-4-methyl-1H-pyrrole-2-carboxylate, 4-methyl-2-pyrrolecarboxylate ethyl ester, AC-23471, AJ-40008, CJ-09415, OR350171, SY013114, AB0032674, AX8098820, DB-070059, TR-016214, 4CH-001121, AM20120624, FT-0082199, FT-0602074, M1145, ST24047044, X6062, K-8661, MFCD00191668 (97+%), 611M856, 3-Methyl-1H-pyrrole-5-carboxylic acid ethyl ester, 4-methyl-1 H-pyrrole-2-carboxylic acid ethyl ester, I11-0492, 1H-Pyrrole-2-carboxylicacid, 4-methyl-, ethyl ester, benzenemethanol, 4-methoxy-alpha-[(methylamino)methyl]-, InChI=1/C8H11NO2/c1-3-11-8(10)7-4-6(2)5-9-7/h4-5,9H,3H2,1-2H, C8H11NO2, CID643361, 1-(4-methoxyphenyl)-2-(methylamino)ethanol, 1H-Pyrrole-2-carboxylic acid, 4-methyl-, ethyl ester (9CI), 25419-06-1,

Complexity	147
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	153.079g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	153.181g/mol
Monoisotopic Mass	153.079g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	42.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

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

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