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277298-22-3 | 1-Piperidinecarboxylic acid, 4-oxo-3-propyl-, 1,1-dimethylethyl ester, (3R)-
CAS No: 277298-22-3 Catalog No: AG002ULQ MDL No:
Product Description
Catalog Number:
AG002ULQ
Chemical Name:
1-Piperidinecarboxylic acid, 4-oxo-3-propyl-, 1,1-dimethylethyl ester, (3R)-
CAS Number:
277298-22-3
Molecular Formula:
C13H23NO3
Molecular Weight:
241.3266
IUPAC Name:
tert-butyl 4-oxo-3-propylpiperidine-1-carboxylate
InChI:
InChI=1S/C13H23NO3/c1-5-6-10-9-14(8-7-11(10)15)12(16)17-13(2,3)4/h10H,5-9H2,1-4H3
InChI Key:
NKFIUBSEBGYGEF-UHFFFAOYSA-N
SMILES:
CCC[C@@H]1CN(CCC1=O)C(=O)OC(C)(C)C
Properties
Complexity:
294
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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