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82456-37-9 | 4-Penten-2-one, 1-phenyl-
CAS No: 82456-37-9 Catalog No: AG0050PY MDL No:
Product Description
Catalog Number:
AG0050PY
Chemical Name:
4-Penten-2-one, 1-phenyl-
CAS Number:
82456-37-9
Molecular Formula:
C11H12O
Molecular Weight:
160.2124
IUPAC Name:
1-phenylpent-4-en-2-one
InChI:
InChI=1S/C11H12O/c1-2-6-11(12)9-10-7-4-3-5-8-10/h2-5,7-8H,1,6,9H2
InChI Key:
ILVLMVDQZFJDSX-UHFFFAOYSA-N
SMILES:
C=CCC(=O)Cc1ccccc1
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.089g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.216g/mol
Monoisotopic Mass:
160.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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