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1257294-04-4 | 1-Piperidinecarboxylic acid, 4-(3-oxetanyl)-, 1,1-dimethylethyl ester
CAS No: 1257294-04-4 Catalog No: AG000OK2 MDL No:MFCD20528853
Product Description
Catalog Number:
AG000OK2
Chemical Name:
1-Piperidinecarboxylic acid, 4-(3-oxetanyl)-, 1,1-dimethylethyl ester
CAS Number:
1257294-04-4
Molecular Formula:
C13H23NO3
Molecular Weight:
241.3266
MDL Number:
MFCD20528853
IUPAC Name:
tert-butyl 4-(oxetan-3-yl)piperidine-1-carboxylate
InChI:
InChI=1S/C13H23NO3/c1-13(2,3)17-12(15)14-6-4-10(5-7-14)11-8-16-9-11/h10-11H,4-9H2,1-3H3
InChI Key:
UEKRZANKPZVKJS-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)C1COC1)OC(C)(C)C
Properties
Complexity:
273
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:
3
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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