AG00085M

1027-35-6 | Ethyl 1-benzyl-4-oxo-pyrrolidine-3-carboxylate

AG00085M

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CAS Number	1027-35-6
Catalog Number	AG00085M(AGN-PC-0JO52Y)
Chemical Name	Ethyl 1-benzyl-4-oxo-pyrrolidine-3-carboxylate
IUPAC Name	ethyl 1-benzyl-4-oxopyrrolidine-3-carboxylate
InChI	InChI=1S/C14H17NO3/c1-2-18-14(17)12-9-15(10-13(12)16)8-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3
InChI Key	XLKXIFXOWMGWNT-UHFFFAOYSA-N
MDL Number	MFCD09998956
Molecular Formula	C14H17NO3
Molecular Weight	247.2897
NSC Number	121147
SMILES	CCOC(=O)C1CN(CC2=CC=CC=C2)CC1=O
Synonyms	1027-35-6, ethyl 1-benzyl-4-oxopyrrolidine-3-carboxylate, ETHYL 1-BENZYL-4-OXO-PYRROLIDINE-3-CARBOXYLATE, 1-Benzyl-4-oxo-pyrrolidine-3-carboxylic acid ethyl ester, Ethyl 1-benzyl-4-pyrrolidone-3-carboxylate, AK-79148, 3-Pyrrolidinecarboxylic acid, 4-oxo-1-(phenylmethyl)-, ethyl ester, 3-Pyrrolidinecarboxylicacid, 4-oxo-1-(phenylmethyl)-, ethyl ester, 4-OXO-1-(PHENYLMETHYL)-3-PYRROLIDINECARBOXYLIC ACID ETHYL ESTER, NSC121147, AC1Q6KTI, SCHEMBL183706, AC1L6V07, CTK4A1435, DTXSID80298145, XLKXIFXOWMGWNT-UHFFFAOYSA-N, KS-000008BU, ANW-74214, DT1026, MFCD09998956, 1-benzyl-3-carboethoxy-4-pyrrolidone, AKOS015843363, AN-4487, NSC-121147, PB19082, QC-9136, RL00131, 1-benzyl-3-ethoxycarbonyl-4-pyrrolidone, AC-28817, AS-41874, SC-53602, AB0081303, AX8158717, BB0220557, DB-058851, ethyl-benzyl-4-oxopyrrolidine-3-carboxylate, ST2406843, TC-162959, 1-benzyl-4-ethoxycarbonyl-pyrrolidine-3-one, BB 0220557, FT-0682227, W-4296, J-520522, I14-14332, 1-(benzyl)-4-keto-pyrrolidine-3-carboxylic acid ethyl ester, ETHYL 4-OXO-1-(PHENYLMETHYL)PYRROLIDINE-3-CARBOXYLATE, AR-1I7920, CID274831, ethyl1-benzyl-4-oxo-pyrrolidine-3-carboxylate, ethyl 4,4-difluoropyrrolidine-3-carboxylate, 102831-44-7,

Complexity	310
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	247.121g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	247.294g/mol
Monoisotopic Mass	247.121g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	46.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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