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7477-68-1 | 1,3-diphenyl-3-(1-piperidyl)prop-2-en-1-one
CAS No: 7477-68-1 Catalog No: AG008OZV MDL No:
Product Description
Catalog Number:
AG008OZV
Chemical Name:
1,3-diphenyl-3-(1-piperidyl)prop-2-en-1-one
CAS Number:
7477-68-1
Molecular Formula:
C20H21NO
Molecular Weight:
291.3868
IUPAC Name:
1,3-diphenyl-3-piperidin-1-ylprop-2-en-1-one
InChI:
InChI=1S/C20H21NO/c22-20(18-12-6-2-7-13-18)16-19(17-10-4-1-5-11-17)21-14-8-3-9-15-21/h1-2,4-7,10-13,16H,3,8-9,14-15H2
InChI Key:
WXQOXQQWEANKJI-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)C=C(c1ccccc1)N1CCCCC1
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.162g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.394g/mol
Monoisotopic Mass:
291.162g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.4
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