AG003A84

952484-58-1 | (S)-1-Methylpyrrolidine-3-carboxylic acid

AG003A84

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CAS Number	952484-58-1
Catalog Number	AG003A84(AGN-PC-0WAI5I)
Chemical Name	(S)-1-Methylpyrrolidine-3-carboxylic acid
IUPAC Name	(3S)-1-methylpyrrolidine-3-carboxylic acid
InChI	InChI=1S/C6H11NO2/c1-7-3-2-5(4-7)6(8)9/h5H,2-4H2,1H3,(H,8,9)/t5-/m0/s1
InChI Key	LJGFIWDOHOWUOY-YFKPBYRVSA-N
MDL Number	MFCD19231885
Molecular Formula	C6H11NO2
Molecular Weight	129.1570
SMILES	CN1C[C@H](CC1)C(=O)O
Synonyms	(S)-1-Methylpyrrolidine-3-carboxylic acid, 952484-58-1, (3S)-1-METHYLPYRROLIDINE-3-CARBOXYLIC ACID, SCHEMBL3964085, DTXSID10653405, KS-000006PV, ZINC2028498, 6382AC, FCH968597, MFCD19231885, PB23010, AJ-32870, AK109638, TS-01694, AX8227555, CS-0053278, Q-2507, C6H11NO2, 1-methylpyrrolidine-3-carboxylic acid, 25712-60-1, 412281-11-9,

Complexity	124
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	129.079g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	129.159g/mol
Monoisotopic Mass	129.079g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-2.4

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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