AG00I4A7

2199-51-1 | 1H-Pyrrole-3-carboxylic acid, 2,4-dimethyl-, ethyl ester

AG00I4A7

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CAS Number	2199-51-1
Catalog Number	AG00I4A7(AGN-PC-0JMPHJ)
Chemical Name	1H-Pyrrole-3-carboxylic acid, 2,4-dimethyl-, ethyl ester
EC Number	606-885-5
IUPAC Name	ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate
InChI	InChI=1S/C9H13NO2/c1-4-12-9(11)8-6(2)5-10-7(8)3/h5,10H,4H2,1-3H3
InChI Key	QWSFDUPEOPMXCV-UHFFFAOYSA-N
MDL Number	MFCD01365811
Molecular Formula	C9H13NO2
Molecular Weight	167.2050
NSC Number	13425
SMILES	C(=O)(OCC)c1c(C)c[nH]c1C
Synonyms	ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate, 2199-51-1, 2,4-Dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester, Ethyl 2,4-dimethylpyrrole-3-carboxylate, 1H-Pyrrole-3-carboxylic acid, 2,4-dimethyl-, ethyl ester, 2,4-dimethylpyrrole-3-carboxylic acid ethyl ester, ethyl 2,4-dimethyl-pyrrole-3-carboxylate, ethyl 2,4-dimethylpyrrole-3-carboxylic acid, 2,4-Dimethyl-1H-pyrrole-3-carboxylic acid ethylester, NSC13425, PubChem11096, AC1L3AOO, AC1Q32SF, 2,4-Dimethyl-1H-pyrrole-3-carboxylicacidethylester, KSC496G8N, MLS000516371, SCHEMBL1316433, Jsp004469, CHEMBL1999809, CTK3J6386, DTXSID80176414, 2,4-dimethyl-3-carbethoxypyrrole, QWSFDUPEOPMXCV-UHFFFAOYSA-N, HMS2653H13, 2,4-Dimethyl-3-carbethoxy-pyrrole, ACT01687, BCP27291, KS-000000SP, ZINC1729613, ANW-50530, CD-778, MFCD01365811, NSC-13425, SBB066749, AKOS001063868, AC-1930, ACN-039226, CS-W005791, FS-2249, MCULE-3956771685, PB24722, QC-1094, RP23018, RTC-069681, SB21669, VP60064, WT81731, NCGC00246080-01, AJ-31187, AK-23887, AN-14467, BC225421, BR-23887, CJ-06930, M387, SC-19584, SMR000342505, SY034114, AB0015186, DB-011937, ST2419291, TC-069681, 4CH-014909, A4721, AM20090210, E1075, FT-0083371, FT-0649097, EN300-17441, ethyl 2,4-dimethylpyrrole-3-carboxylate 98%, MFCD01365811 (97%), S-2617, 2,4-dimethyl-1h-pyrrole-3-carboxylic acid ethyl, 199D511, 2,4-dimethyl-1h-pyrrole-3-carboxylic acid ethyl es, I11-0027, W-201903, Z56933875, F9995-0105, Pyrrole-3-carboxylic acid, 2,4-dimethyl-, ethyl ester, InChI=1/C9H13NO2/c1-4-12-9(11)8-6(2)5-10-7(8)3/h5,10H,4H2,1-3H, 1082734-00-6, C9H13NO2, CID137481, 1H-Pyrrole-3-carboxylic acid,4-dimethyl-, ethyl ester, 2,4-Dimethylpyrrole-3-carboxylic acid ethyl ester, 98% - 1G 1g, 52459-90-2, 61296-22-8,

Complexity	170
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	167.095g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	167.208g/mol
Monoisotopic Mass	167.095g/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-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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