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79951-34-1 | Cyclohexanone, 2,6-bis[[4-(hexyloxy)phenyl]methylene]-3-methyl-
CAS No: 79951-34-1 Catalog No: AG004Z8P MDL No:
Product Description
Catalog Number:
AG004Z8P
Chemical Name:
Cyclohexanone, 2,6-bis[[4-(hexyloxy)phenyl]methylene]-3-methyl-
CAS Number:
79951-34-1
Molecular Formula:
C33H44O3
Molecular Weight:
488.7007
IUPAC Name:
2,6-bis[(4-hexoxyphenyl)methylidene]-3-methylcyclohexan-1-one
InChI:
InChI=1S/C33H44O3/c1-4-6-8-10-22-35-30-18-13-27(14-19-30)24-29-17-12-26(3)32(33(29)34)25-28-15-20-31(21-16-28)36-23-11-9-7-5-2/h13-16,18-21,24-26H,4-12,17,22-23H2,1-3H3
InChI Key:
RXJAFKDDSBHECV-UHFFFAOYSA-N
SMILES:
CCCCCCOc1ccc(cc1)C=C1CCC(C(=Cc2ccc(cc2)OCCCCCC)C1=O)C
Properties
Complexity:
677
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
488.329g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
488.712g/mol
Monoisotopic Mass:
488.329g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
2
XLogP3:
10
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