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24616-05-5 | 4-Hexen-3-one, 6-phenyl-
CAS No: 24616-05-5 Catalog No: AG002OSK MDL No:
Product Description
Catalog Number:
AG002OSK
Chemical Name:
4-Hexen-3-one, 6-phenyl-
CAS Number:
24616-05-5
Molecular Formula:
C12H14O
Molecular Weight:
174.2390
IUPAC Name:
6-phenylhex-4-en-3-one
InChI:
InChI=1S/C12H14O/c1-2-12(13)10-6-9-11-7-4-3-5-8-11/h3-8,10H,2,9H2,1H3
InChI Key:
KJLQMHQGSFILKB-UHFFFAOYSA-N
SMILES:
CCC(=O)C=CCc1ccccc1
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.104g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.243g/mol
Monoisotopic Mass:
174.104g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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