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88068-42-2 | 5-Hexen-3-one, 5-methyl-6-phenyl-
CAS No: 88068-42-2 Catalog No: AG004KQX MDL No:
Product Description
Catalog Number:
AG004KQX
Chemical Name:
5-Hexen-3-one, 5-methyl-6-phenyl-
CAS Number:
88068-42-2
Molecular Formula:
C13H16O
Molecular Weight:
188.2655
IUPAC Name:
5-methyl-6-phenylhex-5-en-3-one
InChI:
InChI=1S/C13H16O/c1-3-13(14)10-11(2)9-12-7-5-4-6-8-12/h4-9H,3,10H2,1-2H3
InChI Key:
MKNVCTJCPSDROH-UHFFFAOYSA-N
SMILES:
CCC(=O)CC(=Cc1ccccc1)C
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.12g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.27g/mol
Monoisotopic Mass:
188.12g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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