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100702-66-7 | 4-Penten-2-one, 3-phenyl-
CAS No: 100702-66-7 Catalog No: AG0002NY MDL No:
Product Description
Catalog Number:
AG0002NY
Chemical Name:
4-Penten-2-one, 3-phenyl-
CAS Number:
100702-66-7
Molecular Formula:
C11H12O
Molecular Weight:
160.2124
IUPAC Name:
3-phenylpent-4-en-2-one
InChI:
InChI=1S/C11H12O/c1-3-11(9(2)12)10-7-5-4-6-8-10/h3-8,11H,1H2,2H3
InChI Key:
ODJFEEKLCNDLKV-UHFFFAOYSA-N
SMILES:
C=CC(c1ccccc1)C(=O)C
Properties
Complexity:
166
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:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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