AG006A93

958991-06-5 | Methyl 6-oxopiperidine-3-carboxylate

AG006A93

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CAS Number	958991-06-5
Catalog Number	AG006A93(AGN-PC-0JT10U)
Chemical Name	Methyl 6-oxopiperidine-3-carboxylate
IUPAC Name	methyl 6-oxopiperidine-3-carboxylate
InChI	InChI=1S/C7H11NO3/c1-11-7(10)5-2-3-6(9)8-4-5/h5H,2-4H2,1H3,(H,8,9)
InChI Key	YORUFIOEZHJAEZ-UHFFFAOYSA-N
MDL Number	MFCD17016096
Molecular Formula	C7H11NO3
Molecular Weight	157.1671
SMILES	O=C(C(CC1)CNC1=O)OC
Synonyms	methyl 6-oxopiperidine-3-carboxylate, 958991-06-5, (R)-methyl 6-oxopiperidine-3-carboxylate, (S)-methyl 6-oxopiperidine-3-carboxylate, AC1LC1WO, Piperidin-2-one-5-carboxylic acid, methyl ester, SCHEMBL8262495, CTK5H8310, DTXSID60340853, YORUFIOEZHJAEZ-UHFFFAOYSA-N, 1931997-10-2, 1932549-47-7, KS-000003SR, ANW-48592, MFCD17016096, RW3210, AKOS015909561, PB22855, QC-1907, RP08885, Methyl 6-oxo-3-piperidinecarboxylate #, AK-50275, AS-33734, BR-50275, SC-97458, DB-027122, ST1040263, TC-137337, CS-0044684, FT-0684886, W9779, C-8826, J-522564, I14-31816, Z795248068, C7H11NO3, Methyl6-oxopiperidine-3-carboxylate, CID568114,

Complexity	179
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	2
Topological Polar Surface Area	55.4A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-0.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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