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20157-18-0 | 2-Penten-1-one, 4,4-dimethyl-1-phenyl-
CAS No: 20157-18-0 Catalog No: AG002DI6 MDL No:
Product Description
Catalog Number:
AG002DI6
Chemical Name:
2-Penten-1-one, 4,4-dimethyl-1-phenyl-
CAS Number:
20157-18-0
Molecular Formula:
C13H16O
Molecular Weight:
188.2655
IUPAC Name:
4,4-dimethyl-1-phenylpent-2-en-1-one
InChI:
InChI=1S/C13H16O/c1-13(2,3)10-9-12(14)11-7-5-4-6-8-11/h4-10H,1-3H3
InChI Key:
IFCCJDIHOCUKSO-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)C=CC(C)(C)C
Properties
Complexity:
214
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:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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