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206989-54-0 | 1-Piperidinecarboxylic acid, 4-(2-oxopropyl)-, 1,1-dimethylethyl ester
CAS No: 206989-54-0 Catalog No: AG002ISB MDL No:MFCD09910234
Product Description
Catalog Number:
AG002ISB
Chemical Name:
1-Piperidinecarboxylic acid, 4-(2-oxopropyl)-, 1,1-dimethylethyl ester
CAS Number:
206989-54-0
Molecular Formula:
C13H23NO3
Molecular Weight:
241.3266
MDL Number:
MFCD09910234
IUPAC Name:
tert-butyl 4-(2-oxopropyl)piperidine-1-carboxylate
InChI:
InChI=1S/C13H23NO3/c1-10(15)9-11-5-7-14(8-6-11)12(16)17-13(2,3)4/h11H,5-9H2,1-4H3
InChI Key:
UNUNCPXYUNVRRF-UHFFFAOYSA-N
SMILES:
CC(=O)CC1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.168g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.331g/mol
Monoisotopic Mass:
241.168g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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