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88068-35-3 | 3-Tridecanone, 5-methylene-1-phenyl-
CAS No: 88068-35-3 Catalog No: AG004EXM MDL No:
Product Description
Catalog Number:
AG004EXM
Chemical Name:
3-Tridecanone, 5-methylene-1-phenyl-
CAS Number:
88068-35-3
Molecular Formula:
C20H30O
Molecular Weight:
286.4516
IUPAC Name:
5-methylidene-1-phenyltridecan-3-one
InChI:
InChI=1S/C20H30O/c1-3-4-5-6-7-9-12-18(2)17-20(21)16-15-19-13-10-8-11-14-19/h8,10-11,13-14H,2-7,9,12,15-17H2,1H3
InChI Key:
PFZBVIZFZWCMBB-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(=C)CC(=O)CCc1ccccc1
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.23g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.459g/mol
Monoisotopic Mass:
286.23g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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