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138307-90-1 | Cyclohexanone, 3,3,5-trimethyl-5-(2-phenylethenyl)-
CAS No: 138307-90-1 Catalog No: AG0018HH MDL No:
Product Description
Catalog Number:
AG0018HH
Chemical Name:
Cyclohexanone, 3,3,5-trimethyl-5-(2-phenylethenyl)-
CAS Number:
138307-90-1
Molecular Formula:
C17H22O
Molecular Weight:
242.3560
IUPAC Name:
3,3,5-trimethyl-5-(2-phenylethenyl)cyclohexan-1-one
InChI:
InChI=1S/C17H22O/c1-16(2)11-15(18)12-17(3,13-16)10-9-14-7-5-4-6-8-14/h4-10H,11-13H2,1-3H3
InChI Key:
BDGNEHUWODQZJQ-UHFFFAOYSA-N
SMILES:
O=C1CC(C)(C)CC(C1)(C)C=Cc1ccccc1
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.167g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.362g/mol
Monoisotopic Mass:
242.167g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
4.3
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