AG003J5U

3731-16-6 | 3-Carbethoxy-2-piperidone

AG003J5U

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CAS Number	3731-16-6
Catalog Number	AG003J5U(AGN-PC-0WA8DC)
Chemical Name	3-Carbethoxy-2-piperidone
EC Number	223-086-3
IUPAC Name	ethyl 2-oxopiperidine-3-carboxylate
InChI	InChI=1S/C8H13NO3/c1-2-12-8(11)6-4-3-5-9-7(6)10/h6H,2-5H2,1H3,(H,9,10)
InChI Key	DUMNOWYWTAYLJN-UHFFFAOYSA-N
MDL Number	MFCD00006038
Molecular Formula	C8H13NO3
Molecular Weight	171.1937
NSC Number	38545
SMILES	O=C1NCCCC1C(OCC)=O
Synonyms	3-carbethoxy-2-piperidone, 3-Carbethoxy-2-piperidone, 3731-16-6, Ethyl 2-oxopiperidine-3-carboxylate, 3-Ethoxycarbonyl-2-piperidone, Ethyl 2-oxo-3-piperidinecarboxylate, 3-Carboxylicacid-2-piperidinone ethyl ester, Ethyl 2-piperidone-3-carboxylate, 3-Carbethoxy piperidone-2, 2-Piperidone-3-carboxylic Acid Ethyl Ester, 2-Oxo-3-piperidinecarboxylic Acid Ethyl Ester, DUMNOWYWTAYLJN-UHFFFAOYSA-N, 3-Piperidinecarboxylic acid, 2-oxo-, ethyl ester, 2-Oxo-piperidine-3-carboxylic acid ethyl ester, NSC38545, EINECS 223-086-3, PubChem20008, ACMC-1ADVP, Maybridge3_004248, 3-carboethoxy-2-piperidone, AC1L3Z7R, AC1Q34JC, AC1Q34JD, 3-carbethoxy-2-piperidinone, SCHEMBL74445, MLS001043310, CTK3J4898, HMS1443B02, HMS2797K07, ALBB-014423, KS-000013QW, ZERO/001848, ANW-28614, BBL010649, CCG-45261, CE-016, MFCD00006038, NSC-38545, SBB002124, STK723349, Nipecotic acid, 2-oxo-, ethyl ester, AKOS000369944, AKOS016344153, CS-W001549, Ethyl 2-oxo-3-piperidinecarboxylate #, MCULE-1765805158, PB30527, RP09200, RTR-015158, TRA0069278, VZ26533, IDI1_015635, NCGC00246350-01, AK-34903, BR-34903, SC-49974, SMR000427074, ST095689, Ethyl 2-oxo-3-piperidinecarboxylate, 99%, AB0069069, TR-015158, BB 0258988, E0742, ethyl 2-oxidanylidenepiperidine-3-carboxylate, ST24032609, EN300-37549, S-2178, 3-Piperidinecarboxylicacid, 2-oxo-, ethyl ester, A823592, SR-01000635041-1, I14-30657, Z397585734, 7-Benzyloxyindole, C8H13NO3, C8-H13-N-O3, CID97773, 3-piperidinecarboxylic acid, ethyl ester, 3-Carbethoxy-2-piperidone, 99% - 1G 1g, C-1816,

Complexity	191
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	55.4A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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