AG004BLR

885953-27-5 | 3-methyl-3-pyrrolidinecarboxylic acid

AG004BLR

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CAS Number	885953-27-5
Catalog Number	AG004BLR(AGN-PC-0WB5A4)
Chemical Name	3-methyl-3-pyrrolidinecarboxylic acid
IUPAC Name	3-methylpyrrolidine-3-carboxylic acid
InChI	InChI=1S/C6H11NO2/c1-6(5(8)9)2-3-7-4-6/h7H,2-4H2,1H3,(H,8,9)
InChI Key	JXNPHMVNQPDXQI-UHFFFAOYSA-N
MDL Number	MFCD05663313
Molecular Formula	C6H11NO2
Molecular Weight	129.1570
SMILES	O=C(C1(C)CNCC1)O
Synonyms	alpha-methyl-beta-proline, 885953-27-5, 3-Methyl-pyrrolidine-3-carboxylic acid, 3-methylpyrrolidine-3-carboxylic Acid, 3-METHYL-3-PYRROLIDINECARBOXYLIC ACID, AC1MQXH1, alpha-Methyl-beta-proline, SCHEMBL1462801, CTK5G0846, DTXSID60393167, JXNPHMVNQPDXQI-UHFFFAOYSA-N, 2340AJ, MFCD05663313, 3-Pyrrolidinecarboxylicacid,3-methyl-, AKOS012442319, 3-methyl-3-pyrrolidine carboxylic acid, MCULE-2715430873, 3-Pyrrolidinecarboxylic acid, 3-methyl-, AK124663, AS-47405, BC223711, SC-69239, AB1007597, CS-0091785, M33004, Y-1753, null, C6H11NO2, CID3509091, 3-Methyl-3-pyrrolidinecarboxylic acid HCl,

Complexity	135
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
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	2
Isotope Atom Count	0
Molecular Weight	129.159g/mol
Monoisotopic Mass	129.079g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	49.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number