AG003Q2D

54278-10-3 | Ethyl 4-(3-ethoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

AG003Q2D

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CAS Number	54278-10-3
Catalog Number	AG003Q2D(AGN-PC-0JPC89)
Chemical Name	Ethyl 4-(3-ethoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
IUPAC Name	ethyl 4-(3-ethoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
InChI	InChI=1S/C14H21NO4/c1-5-18-12(16)8-7-11-9(3)13(15-10(11)4)14(17)19-6-2/h15H,5-8H2,1-4H3
InChI Key	ZYNJVGCLOFPWFZ-UHFFFAOYSA-N
MDL Number	MFCD00010644
Molecular Formula	C14H21NO4
Molecular Weight	267.3208
NSC Number	157290
SMILES	O=C(C1=C(C)C(CCC(OCC)=O)=C(C)N1)OCC
Synonyms	54278-10-3, Ethyl 2,4-dimethyl-5-(ethoxycarbonyl)-3-pyrrolepropionate, ethyl 4-(3-ethoxy-3-oxopropyl)-3,5-dimethyl-1h-pyrrole-2-carboxylate, 5-(Ethoxycarbonyl)-2,4-dimethyl-1H-pyrrole-3-propionic acid ethyl ester, NSC157290, AC1L6GKS, ACMC-209w8e, AC1Q64BZ, SCHEMBL891168, Ethyl 2,4-dimethyl-5-ethoxycarbonylpyrrole-3-propionate, CTK5A0301, ZINC56662, DTXSID10303190, ZYNJVGCLOFPWFZ-UHFFFAOYSA-N, KS-000001QY, ZX-AT009852, ANW-46044, CE-192, MFCD00010644, OR8265, AKOS015898102, MCULE-6364015099, NSC-157290, TRA0038148, AJ-09354, AK-82483, AN-10330, AS-18101, CJ-00383, SC-27224, SY005500, ZB001765, AB0022192, AX8015620, DB-052528, RT-000023, ST2406940, FT-0640233, ST50319892, W2900, E70400, K-9793, MFCD00010644 (97+%), 278E103, ethyl 2,4-dimethyl-5-(ethoxycarbonyl)-3-pyrrolepr, Ethyl 2,4-Dimethyl-5-(ethoxycarbonyl)-3-pyrrolepro, I11-0418, 2,4-Dimethyl-3-carbethoxy ethyl-5-carbethoxy-pyrrole, 2,4-Dimethyl-5-ethoxycarbonyl-3-(2-ethoxycarbonylethyl)pyrrole, 2-ethoxycarbonyl-4-(2-ethoxycarbonylethyl)-3,5-dimethylpyrrole, ethyl 5-(ethoxycarbonyl)-2,4-dimethyl-1h-pyrrole-3-propanoate, 2,4-dimethyl-5-ethoxycarbonyl-3-(2-ethoxycarbonylethyl)-pyrrole, 3-(2-Ethoxycarbonylethyl)-2,4-dimethyl-5-ethoxycarbonyl-1H-pyrrole, Ethyl 2,4-dimethyl-5-(ethoxycarbonyl)-3-pyrrolepropionate, 97%, ethyl 3-[5-(ethoxycarbonyl)-2,4-dimethylpyrrol-3-yl]propanoate, 1H-Pyrrole-3-propanoicacid, 5-(ethoxycarbonyl)-2,4-dimethyl-, ethyl ester, Ethyl 3-[2,4-dimethyl-5-(ethoxycarbonyl)-1H-pyrrol-3-yl]propanoate, ethyl 4-(3-ethoxy-3-oxo-propyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate, 3,5-Dimethyl-4-(3-ethoxy-3-oxopropyl)-1H-pyrrole-2-carboxylic acid ethyl ester, C14H21NO4, AR-1I8949, CID291761, Ethyl2,4-dimethyl-5- -3-pyrrolepropionate, 5437-14-9,

Complexity	319
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	8
Topological Polar Surface Area	68.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

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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