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918299-14-6 | Cyclobutanone, 3-hexyl-3-[2-(1-methylethenyl)phenyl]-
CAS No: 918299-14-6 Catalog No: AG006GIE MDL No:
Product Description
Catalog Number:
AG006GIE
Chemical Name:
Cyclobutanone, 3-hexyl-3-[2-(1-methylethenyl)phenyl]-
CAS Number:
918299-14-6
Molecular Formula:
C19H26O
Molecular Weight:
270.4091
IUPAC Name:
3-hexyl-3-(2-prop-1-en-2-ylphenyl)cyclobutan-1-one
InChI:
InChI=1S/C19H26O/c1-4-5-6-9-12-19(13-16(20)14-19)18-11-8-7-10-17(18)15(2)3/h7-8,10-11H,2,4-6,9,12-14H2,1,3H3
InChI Key:
ZMYULRLWGCLLSD-UHFFFAOYSA-N
SMILES:
CCCCCCC1(CC(=O)C1)c1ccccc1C(=C)C
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.198g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.416g/mol
Monoisotopic Mass:
270.198g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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