AG00CBX7

22540-51-8 | 1-Methyl-6-oxopiperidine-3-carboxylic acid

AG00CBX7

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CAS Number	22540-51-8
Catalog Number	AG00CBX7(AGN-PC-0WB3M8)
Chemical Name	1-Methyl-6-oxopiperidine-3-carboxylic acid
IUPAC Name	1-methyl-6-oxopiperidine-3-carboxylic acid
InChI	InChI=1S/C7H11NO3/c1-8-4-5(7(10)11)2-3-6(8)9/h5H,2-4H2,1H3,(H,10,11)
InChI Key	FMLCUICPLLRLEU-UHFFFAOYSA-N
MDL Number	MFCD09701684
Molecular Formula	C7H11NO3
Molecular Weight	157.1671
SMILES	O=C(C(CC1)CN(C)C1=O)O
Synonyms	1-methyl-6-oxopiperidine-3-carboxylic acid, 22540-51-8, 1-Methyl-6-oxo-piperidine-3-carboxylic acid, 3-PIPERIDINECARBOXYLIC ACID, 1-METHYL-6-OXO-, (3R)-1-methyl-6-oxopiperidine-3-carboxylic acid, (3S)-1-methyl-6-oxopiperidine-3-carboxylic acid, SCHEMBL1969420, DTXSID90649467, FMLCUICPLLRLEU-UHFFFAOYSA-N, 1932309-72-2, 1932529-85-5, ALBB-014112, MFCD09701684, SBB025081, STK352024, AKOS004120116, AKOS016344378, MCULE-4009790849, PB16151, AS-50623, DA-07933, ST098457, AB0157892, AB1008810, BB 0261345, CS-0052432, FT-0683823, Q-2182, I04-4936,

Complexity	190
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	157.074g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	157.169g/mol
Monoisotopic Mass	157.074g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	57.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number