AG003A97

86770-31-2 | 2-tert-Butyl 4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

AG003A97

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CAS Number	86770-31-2
Catalog Number	AG003A97(AGN-PC-0L9LHP)
Chemical Name	2-tert-Butyl 4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
EC Number	617-915-1
IUPAC Name	2-O-tert-butyl 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
InChI	InChI=1S/C14H21NO4/c1-7-18-12(16)10-8(2)11(15-9(10)3)13(17)19-14(4,5)6/h15H,7H2,1-6H3
InChI Key	CJXJFSNESZDOGK-UHFFFAOYSA-N
MDL Number	MFCD02179394
Molecular Formula	C14H21NO4
Molecular Weight	267.3208
SMILES	O=C(C1=C(C)C(C(OCC)=O)=C(C)N1)OC(C)(C)C
Synonyms	86770-31-2, 2-tert-butyl 4-ethyl 3,5-dimethyl-1h-pyrrole-2,4-dicarboxylate, 3,5-dimethylpyrrole-2,4-dicarboxylic acid 2-t-butyl ester-4-ethyl ester, 3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid 2-tert-butyl ester 4-ethyl ester, 2-tert-Butyl 4-ethyl 3,5-dimethylpyrrole-2,4-dicarboxylate, AK-49123, 2-(tert-Butyl) 4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate, Q-101342, 3,5-Dimethylpyrrole-2,4-dicarboxylic acid 2-t-butyl ester 4-ethyl ester, ethyl 5-[(tert-butyl)oxycarbonyl]-2,4-dimethylpyrrole-3-carboxylate, PubChem23989, AC1N8PXZ, 3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylicacid, SCHEMBL1627629, CTK6F5174, DTXSID40402201, CJXJFSNESZDOGK-UHFFFAOYSA-N, BCP04677, KS-00000H8X, ZINC2391900, ZX-AT009846, 3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid-2 -butyl-4-ethyl ester, MFCD02179394, OR9935, SBB053902, AKOS015888742, AB11085, AC-4253, AN-3036, CB-1136, MCULE-8174246806, AJ-35794, BR-49123, CJ-08402, P759, SC-16319, SY020838, TS-00870, AB0017191, AX8015619, AM20090786, FT-0083370, FT-0651397, ST24028142, ST50949736, MFCD02179394 (95%), M-1452, 770D312, C-34412, I01-1259, 3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid 2-te, t-butyl-2,4-dimethyl-3-carbethoxy pyrrole-5-carboxylate, 2-tert-butyloxycarbonyl-3,5-dimethyl-4-ethoxycarbonylpyrrole, O2-tert-butyl O4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate, 2-O-tert-butyl 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate, 3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid 2-tert-butyl 4-ethyl ester, 3,5-dimethyl-1h-pyrrole-2,4-dicarboxylic acid-2-butyl-4-ethyl ester, 3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylicacid2-tert-butylester4-ethylester, 3,5-dimethylpyrrole-2,4-dicarboxylic acid 4-ethyl ester-2-t-butyl ester, 3,5-dimethylpyrrole-2,4-dicarboxylic acid 4-ethyl ester-2-tert-butyl ester, 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid 2-tertiary butyl ester 4-ethyl ester, 3,5-dimethyl-1h-pyrrole-2,4-dicarboxylic acid, 2-tert butyl ester, 4-ethyl ester, 3,5-Dimethyl-1H-pyrrole-2.4-dicarboxylic acid 2-tert-butyl ester 4-ethyl ester, 4-ETHYL 2-(2-METHYL-2-PROPANYL) 3,5-DIMETHYL-1H-PYRROLE-2,4-DICARBOXYLATE, 1H-PYRROLE-2,4-DICARBOXYLIC ACID, 3,5-DIMETHYL-, 2-(1,1-DIMETHYLETHYL) 4-ETHYL ESTER, C14H21NO4, CID4347660, 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid, A10336, Tert-butyl Ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate, 3,5-Dimethylpyrrole-2,4-dicarboxylicacid2-t-butylester-4-ethylester, 1H-Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, 2-(1,1-dimethylethyl) 4-ethyl ester (9CI),

Complexity	348
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	267.147g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	267.325g/mol
Monoisotopic Mass	267.147g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	68.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

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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