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169206-65-9 | 1-Piperidinecarboxylic acid, 4-(2-methoxy-2-oxoethylidene)-, 1,1-dimethylethyl ester
CAS No: 169206-65-9 Catalog No: AG001YL9 MDL No:MFCD01632524
Product Description
Catalog Number:
AG001YL9
Chemical Name:
1-Piperidinecarboxylic acid, 4-(2-methoxy-2-oxoethylidene)-, 1,1-dimethylethyl ester
CAS Number:
169206-65-9
Molecular Formula:
C13H21NO4
Molecular Weight:
255.3101
MDL Number:
MFCD01632524
IUPAC Name:
tert-butyl 4-(2-methoxy-2-oxoethylidene)piperidine-1-carboxylate
InChI:
InChI=1S/C13H21NO4/c1-13(2,3)18-12(16)14-7-5-10(6-8-14)9-11(15)17-4/h9H,5-8H2,1-4H3
InChI Key:
OHLLSFRHFHSUES-UHFFFAOYSA-N
SMILES:
COC(=O)C=C1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.147g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.314g/mol
Monoisotopic Mass:
255.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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