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1226294-61-6 | 1-Piperidinecarboxylic acid, 3-(1-oxopropyl)-, 1,1-dimethylethyl ester
CAS No: 1226294-61-6 Catalog No: AG0017JX MDL No:MFCD16321586
Product Description
Catalog Number:
AG0017JX
Chemical Name:
1-Piperidinecarboxylic acid, 3-(1-oxopropyl)-, 1,1-dimethylethyl ester
CAS Number:
1226294-61-6
Molecular Formula:
C13H23NO3
Molecular Weight:
241.3266
MDL Number:
MFCD16321586
IUPAC Name:
tert-butyl 3-propanoylpiperidine-1-carboxylate
InChI:
InChI=1S/C13H23NO3/c1-5-11(15)10-7-6-8-14(9-10)12(16)17-13(2,3)4/h10H,5-9H2,1-4H3
InChI Key:
SDXDPFJADRSXOW-UHFFFAOYSA-N
SMILES:
CCC(=O)C1CCCN(C1)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:
1.8
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