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40110-55-2 | Ethyl 2-(1-benzylpiperidin-4-ylidene)acetate
CAS No: 40110-55-2 Catalog No: AG0037W9 MDL No:MFCD08437068
Product Description
Catalog Number:
AG0037W9
Chemical Name:
Ethyl 2-(1-benzylpiperidin-4-ylidene)acetate
CAS Number:
40110-55-2
Molecular Formula:
C16H21NO2
Molecular Weight:
259.3434
MDL Number:
MFCD08437068
IUPAC Name:
ethyl 2-(1-benzylpiperidin-4-ylidene)acetate
InChI:
InChI=1S/C16H21NO2/c1-2-19-16(18)12-14-8-10-17(11-9-14)13-15-6-4-3-5-7-15/h3-7,12H,2,8-11,13H2,1H3
InChI Key:
ZKKOLEGJTTYPDH-UHFFFAOYSA-N
SMILES:
CCOC(=O)C=C1CCN(CC1)Cc1ccccc1
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.157g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.349g/mol
Monoisotopic Mass:
259.157g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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