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1260784-23-3 | 3-Piperidinecarboxylic acid, 1-(4-formylphenyl)-, ethyl ester
CAS No: 1260784-23-3 Catalog No: AG000R8Q MDL No:MFCD06657343
Product Description
Catalog Number:
AG000R8Q
Chemical Name:
3-Piperidinecarboxylic acid, 1-(4-formylphenyl)-, ethyl ester
CAS Number:
1260784-23-3
Molecular Formula:
C15H19NO3
Molecular Weight:
261.3163
MDL Number:
MFCD06657343
IUPAC Name:
ethyl 1-(4-formylphenyl)piperidine-3-carboxylate
InChI:
InChI=1S/C15H19NO3/c1-2-19-15(18)13-4-3-9-16(10-13)14-7-5-12(11-17)6-8-14/h5-8,11,13H,2-4,9-10H2,1H3
InChI Key:
CMYWOXOVVSWWSE-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCCN(C1)c1ccc(cc1)C=O
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.136g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.321g/mol
Monoisotopic Mass:
261.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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