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100501-55-1 | 1-Piperidinecarboxylic acid, 3-formyl-4-oxo-, 1,1-dimethylethyl ester
CAS No: 100501-55-1 Catalog No: AG000267 MDL No:MFCD06739281
Product Description
Catalog Number:
AG000267
Chemical Name:
1-Piperidinecarboxylic acid, 3-formyl-4-oxo-, 1,1-dimethylethyl ester
CAS Number:
100501-55-1
Molecular Formula:
C11H17NO4
Molecular Weight:
227.2570
MDL Number:
MFCD06739281
IUPAC Name:
tert-butyl 3-formyl-4-oxopiperidine-1-carboxylate
InChI:
InChI=1S/C11H17NO4/c1-11(2,3)16-10(15)12-5-4-9(14)8(6-12)7-13/h7-8H,4-6H2,1-3H3
InChI Key:
ZKIQUKVRBZWAMF-UHFFFAOYSA-N
SMILES:
O=CC1CN(CCC1=O)C(=O)OC(C)(C)C
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.116g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.26g/mol
Monoisotopic Mass:
227.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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