AG003ENL

696647-92-4 | 1-sec-Butyl-5-oxopyrrolidine-3-carboxylic Acid

AG003ENL

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CAS Number	696647-92-4
Catalog Number	AG003ENL(AGN-PC-0CA701)
Chemical Name	1-sec-Butyl-5-oxopyrrolidine-3-carboxylic Acid
IUPAC Name	1-butan-2-yl-5-oxopyrrolidine-3-carboxylic acid
InChI	InChI=1S/C9H15NO3/c1-3-6(2)10-5-7(9(12)13)4-8(10)11/h6-7H,3-5H2,1-2H3,(H,12,13)
InChI Key	HHAITVSZLBIGMQ-UHFFFAOYSA-N
MDL Number	MFCD03834530
Molecular Formula	C9H15NO3
Molecular Weight	185.2203
SMILES	O=C1CC(C(O)=O)CN1C(C)CC
Synonyms	1-sec-butyl-5-oxopyrrolidine-3-carboxylic acid, 696647-92-4, SMR000132616, MLS000522208, 1-(butan-2-yl)-5-oxopyrrolidine-3-carboxylic acid, 1-butan-2-yl-5-oxopyrrolidine-3-carboxylic acid, AC1NGPEM, CHEMBL1375391, SCHEMBL11997219, BDBM55407, cid_4777950, CTK6A9516, HMS1648H11, HMS2473G23, ALBB-009475, KS-00000AI4, 8326AE, BBL008498, KM1297, MFCD03834530, SBB045166, STK502021, AKOS000149582, AKOS016040994, CCG-202952, MCULE-4728116478, RTR-061208, TRA0050229, AS-31728, SY014243, AB0053237, DB-074202, TR-061208, BB 0219705, EU-0066661, FT-0710657, 1-sec-Butyl-5-oxopyrrolidine-3-carboxylicAcid, 1-butan-2-yl-5-oxo-3-pyrrolidinecarboxylic acid, MFCD03834530 (97+%), 5-keto-1-sec-butyl-pyrrolidine-3-carboxylic acid, 5-oxo-1-(sec-butyl)pyrrolidine-3-carboxylic acid, 1-(methylpropyl)-5-oxopyrrolidine-3-carboxylic acid, 1-(1-methylpropyl)-5-oxo-3-Pyrrolidine carboxylic acid, 1-SEC-BUTYL-5-OXO-3-PYRROLIDINECARBOXYLIC ACID, 1-butan-2-yl-5-oxidanylidene-pyrrolidine-3-carboxylic acid, 3-pyrrolidinecarboxylic acid, 1-(1-methylpropyl)-5-oxo-, C9H15NO3, CID4777950, 1-(1-methylpropyl)-5-oxo-3-Pyrrolidinecarboxylic acid, 1019398-93-6,

Complexity	227
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	1
Isotope Atom Count	0
Molecular Weight	185.223g/mol
Monoisotopic Mass	185.105g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	57.6A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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