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102449-34-3 | 1-Piperidinecarboxylic acid, 4-(diphenylmethylene)-, ethyl ester
CAS No: 102449-34-3 Catalog No: AG0007IQ MDL No:
Product Description
Catalog Number:
AG0007IQ
Chemical Name:
1-Piperidinecarboxylic acid, 4-(diphenylmethylene)-, ethyl ester
CAS Number:
102449-34-3
Molecular Formula:
C21H23NO2
Molecular Weight:
321.4128
IUPAC Name:
ethyl 4-benzhydrylidenepiperidine-1-carboxylate
InChI:
InChI=1S/C21H23NO2/c1-2-24-21(23)22-15-13-19(14-16-22)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12H,2,13-16H2,1H3
InChI Key:
XKINUQUHALMXSV-UHFFFAOYSA-N
SMILES:
CCOC(=O)N1CCC(=C(c2ccccc2)c2ccccc2)CC1
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.173g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.42g/mol
Monoisotopic Mass:
321.173g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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