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123387-50-8 | 1-Piperidinecarboxylic acid, 4-methyl-, 1,1-dimethylethyl ester
CAS No: 123387-50-8 Catalog No: AG000KGV MDL No:MFCD04114947
Product Description
Catalog Number:
AG000KGV
Chemical Name:
1-Piperidinecarboxylic acid, 4-methyl-, 1,1-dimethylethyl ester
CAS Number:
123387-50-8
Molecular Formula:
C11H21NO2
Molecular Weight:
199.2899
MDL Number:
MFCD04114947
IUPAC Name:
tert-butyl 4-methylpiperidine-1-carboxylate
InChI:
InChI=1S/C11H21NO2/c1-9-5-7-12(8-6-9)10(13)14-11(2,3)4/h9H,5-8H2,1-4H3
InChI Key:
OXSSNJRGXRJNPX-UHFFFAOYSA-N
SMILES:
CC1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.157g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.294g/mol
Monoisotopic Mass:
199.157g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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