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89115-91-3 | 2-Piperidinecarboxylic acid, 2-methyl-6-oxo-, ethyl ester
CAS No: 89115-91-3 Catalog No: AG003Z5K MDL No:MFCD24588290
Product Description
Catalog Number:
AG003Z5K
Chemical Name:
2-Piperidinecarboxylic acid, 2-methyl-6-oxo-, ethyl ester
CAS Number:
89115-91-3
Molecular Formula:
C9H15NO3
Molecular Weight:
185.2203
MDL Number:
MFCD24588290
IUPAC Name:
ethyl 2-methyl-6-oxopiperidine-2-carboxylate
InChI:
InChI=1S/C9H15NO3/c1-3-13-8(12)9(2)6-4-5-7(11)10-9/h3-6H2,1-2H3,(H,10,11)
InChI Key:
ORNCYRNLGOEJNS-UHFFFAOYSA-N
SMILES:
CC1(CCCC(=O)N1)C(=O)OCC
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.105g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.223g/mol
Monoisotopic Mass:
185.105g/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
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