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1008562-87-5 | 1-Piperidinecarboxylic acid, 3-formyl-, 1,1-dimethylethyl ester, (3S)-
CAS No: 1008562-87-5 Catalog No: AG00030W MDL No:MFCD18633365
Product Description
Catalog Number:
AG00030W
Chemical Name:
1-Piperidinecarboxylic acid, 3-formyl-, 1,1-dimethylethyl ester, (3S)-
CAS Number:
1008562-87-5
Molecular Formula:
C11H19NO3
Molecular Weight:
213.2735
MDL Number:
MFCD18633365
IUPAC Name:
tert-butyl (3S)-3-formylpiperidine-1-carboxylate
InChI:
InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-6-4-5-9(7-12)8-13/h8-9H,4-7H2,1-3H3/t9-/m0/s1
InChI Key:
CTVHINDANRPFIL-VIFPVBQESA-N
SMILES:
O=C[C@H]1CCCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
213.136g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.277g/mol
Monoisotopic Mass:
213.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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