AG006FUX

69338-35-8 | 1-Pyrrolidinebutanoicacid, g-oxo-

AG006FUX

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CAS Number	69338-35-8
Catalog Number	AG006FUX(AGN-PC-0TVEG9)
Chemical Name	1-Pyrrolidinebutanoicacid, g-oxo-
IUPAC Name	4-oxo-4-pyrrolidin-1-ylbutanoic acid
InChI	InChI=1S/C8H13NO3/c10-7(3-4-8(11)12)9-5-1-2-6-9/h1-6H2,(H,11,12)
InChI Key	ADSJBLXBDQWPHY-UHFFFAOYSA-N
MDL Number	MFCD00030529
Molecular Formula	C8H13NO3
Molecular Weight	171.1937
SMILES	O=C(O)CCC(N1CCCC1)=O
Synonyms	69338-35-8, 4-oxo-4-(1-pyrrolidinyl)butanoic acid, 4-Oxo-4-pyrrolidin-1-yl-butyric acid, 4-oxo-4-(pyrrolidin-1-yl)butanoic acid, 1-Pyrrolidinebutanoicacid, g-oxo-, 4-oxo-4-pyrrolidin-1-ylbutanoic acid, 4-oxo-4-pyrrolidinylbutanoic acid, 4-oxo-4-pyrrolidin-1-yl-butanoic Acid, AC1LGYA3, MLS000680002, ARONIS007422, SCHEMBL1520620, CHEMBL1529911, 1-Pyrrolidinebutanoicacid,g-oxo-, CTK5C9430, KS-00003ZHX, DTXSID00357501, ADSJBLXBDQWPHY-UHFFFAOYSA-N, HMS1654K06, HMS2618D17, ZINC397852, ALBB-006321, gamma-oxo-1-pyrrolidinebutanoic acid, 8243AE, BBL023603, MFCD00030529, SBB048140, STK021088, 4-oxo-4-pyrrolidin-1-ylbutyric acid, AKOS000132529, 4-Oxo-4-(1-pyrrolidinyl)butyric acid, MCULE-5028290066, VZ29646, AS-10595, SMR000324633, 4-oxo-4-(pyrrolidin-1-yl)-butanoic acid, DB-055255, TR-047904, BB 0255068, CS-0060801, FT-0641234, ST45044177, T8113, 4-oxidanylidene-4-pyrrolidin-1-yl-butanoic acid, A836439, C8H13NO3, CID853808, 4-OXO-4-PYRROLIDIN-1-YL-BUTYRICACID, 4-Oxo-4-pyrrolidin-1-yl-butyric acid, 98% - 10G 10g,

Complexity	185
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	171.09g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	171.196g/mol
Monoisotopic Mass	171.09g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	57.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code

Certificate of Analysis

Lot Number