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18977-40-7 | Cyclohexanone, 2,6-bis(3-phenyl-2-propen-1-ylidene)-
CAS No: 18977-40-7 Catalog No: AG002DYM MDL No:
Product Description
Catalog Number:
AG002DYM
Chemical Name:
Cyclohexanone, 2,6-bis(3-phenyl-2-propen-1-ylidene)-
CAS Number:
18977-40-7
Molecular Formula:
C24H22O
Molecular Weight:
326.4309
IUPAC Name:
2,6-dicinnamylidenecyclohexan-1-one
InChI:
InChI=1S/C24H22O/c25-24-22(16-7-14-20-10-3-1-4-11-20)18-9-19-23(24)17-8-15-21-12-5-2-6-13-21/h1-8,10-17H,9,18-19H2
InChI Key:
CTQRVSIAFMWYTR-UHFFFAOYSA-N
SMILES:
O=C1C(=CC=Cc2ccccc2)CCCC1=CC=Cc1ccccc1
Properties
Complexity:
501
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.167g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.439g/mol
Monoisotopic Mass:
326.167g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
4
XLogP3:
6.3
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