AG003RKI

59857-84-0 | methyl 1-isopropyl-5-oxopyrrolidine-3-carboxylate

AG003RKI

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CAS Number	59857-84-0
Catalog Number	AG003RKI(AGN-PC-02S91X)
Chemical Name	methyl 1-isopropyl-5-oxopyrrolidine-3-carboxylate
IUPAC Name	methyl 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate
InChI	InChI=1S/C9H15NO3/c1-6(2)10-5-7(4-8(10)11)9(12)13-3/h6-7H,4-5H2,1-3H3
InChI Key	VEDZQKXBBVWZHO-UHFFFAOYSA-N
MDL Number	MFCD11053005
Molecular Formula	C9H15NO3
Molecular Weight	185.2203
SMILES	O=C(C(C1)CN(C(C)C)C1=O)OC
Synonyms	59857-84-0, Methyl 1-Isopropyl-2-oxopyrrolidine-4-carboxylate, methyl 1-isopropyl-5-oxopyrrolidine-3-carboxylate, Methyl 5-oxo-1-(propan-2-yl)pyrrolidine-3-carboxylate, 3-Pyrrolidinecarboxylic acid, 1-(1-methylethyl)-5-oxo-, methyl ester, F2147-0247, SCHEMBL11622652, CTK1E6330, KS-00000AHZ, DTXSID30606291, VEDZQKXBBVWZHO-UHFFFAOYSA-N, 6901AJ, MFCD11053005, AKOS005208404, 4-Carbomethoxy-1-isopropyl-pyrrolidone, MCULE-4618529456, TRA0070899, AC-23511, AS-32216, SY013257, AB0058200, DB-072707, TC-308401, CS-0048962, FT-0717870, L-4513, Methyl1-Isopropyl-2-oxopyrrolidine-4-carboxylate, MFCD11053005 (95+%), methyl 1-(1-methylethyl)-5-oxo-3-pyrrolidinecarboxylate, 1-Isopropyl-5-oxo-pyrrolidine-3-carboxylic acid methyl ester, C9H15NO3, 675-10-5,

Complexity	225
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	185.105g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	185.223g/mol
Monoisotopic Mass	185.105g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	46.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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