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(S)-tert-Butyl 2-acetylpiperidine-1-carboxylate

CAS No.:
153108-65-7
Catalog Number:
AG00HY3V
Molecular Formula:
C12H21NO3
Molecular Weight:
227.3000
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Product Description
Catalog Number:
AG00HY3V
Chemical Name:
(S)-tert-Butyl 2-acetylpiperidine-1-carboxylate
CAS Number:
153108-65-7
Molecular Formula:
C12H21NO3
Molecular Weight:
227.3000
MDL Number:
MFCD11975770
IUPAC Name:
tert-butyl (2S)-2-acetylpiperidine-1-carboxylate
InChI:
InChI=1S/C12H21NO3/c1-9(14)10-7-5-6-8-13(10)11(15)16-12(2,3)4/h10H,5-8H2,1-4H3/t10-/m0/s1
InChI Key:
CKHYGWMWQKVMQE-JTQLQIEISA-N
SMILES:
CC(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C
Properties
Complexity:
281  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
227.152g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.304g/mol
Monoisotopic Mass:
227.152g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties