AG0034AP

3284-51-3 | 5-Methyl-1H-Pyrrole-2-Carboxylic Acid Ethyl Ester

AG0034AP

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CAS Number	3284-51-3
Catalog Number	AG0034AP(AGN-PC-0JM206)
Chemical Name	5-Methyl-1H-Pyrrole-2-Carboxylic Acid Ethyl Ester
IUPAC Name	ethyl 5-methyl-1H-pyrrole-2-carboxylate
InChI	InChI=1S/C8H11NO2/c1-3-11-8(10)7-5-4-6(2)9-7/h4-5,9H,3H2,1-2H3
InChI Key	RIUNZXNCMZMRMP-UHFFFAOYSA-N
MDL Number	MFCD01006731
Molecular Formula	C8H11NO2
Molecular Weight	153.1784
NSC Number	81362
SMILES	O=C(OCC)c1ccc([nH]1)C
Synonyms	Ethyl 5-methyl-1H-pyrrole-2-carboxylate, 3284-51-3, 5-Methyl-1H-pyrrole-2-carboxylic acid ethyl ester, Ethyl 5-Methylpyrrole-2-carboxylate, 1H-Pyrrole-2-carboxylic acid, 5-methyl-, ethyl ester, NSC 81362, BRN 0122975, AI3-35114, AK-34707, W-202347, 5-Methyl-1H-pyrrole-2-carboxylic acidethyl ester, NSC81362, AC1L3WT0, AC1Q33ZN, 5-22-01-00417 (Beilstein Handbook Reference), KSC496K7L, 2-methyl-5-carboethoxypyrrole, SCHEMBL402047, WLN: T5MJ BVO2 E1, CTK3J6575, DTXSID10186506, RIUNZXNCMZMRMP-UHFFFAOYSA-N, ZINC337377, ACT01692, CS-D1590, EBD46161, ANW-50484, CCG-40447, FCH834416, MFCD01006731, NSC-81362, RW3446, AKOS006240021, AC-7302, ACM3284513, AN-9116, FS-3047, PB30674, QC-2200, RP21741, RTR-013780, TRA0079345, KS-0000028M, AJ-19841, BR-34707, CC-21984, CJ-02959, OR350470, SC-27130, SY005566, ZB010857, AB0010107, AX8104665, DB-007080, LS-136864, ST2413043, TR-013780, 4CH-002054, AM20090488, FT-0080771, FT-0650948, MFCD01006731 (98%), S-2880, 284E513, C-34871, 5-METHYL-1H-PYROLE-2-CARBOXYLIC ACID ETHYL, S11-0037, 5-METHYL-1H-PYRROLE-2-CARBOXYLICACIDETHYLESTER, InChI=1/C8H11NO2/c1-3-11-8(10)7-5-4-6(2)9-7/h4-5,9H,3H2,1-2H, C8H11NO2, C8-H11-N-O2, CID96598, ACN-030427, 1H-Pyrrole-2-carboxylic acid, ethyl ester, C3025,

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	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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