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827-69-0 | 3-Penten-2-one, 4-phenyl-
CAS No: 827-69-0 Catalog No: AG0056K1 MDL No:
Product Description
Catalog Number:
AG0056K1
Chemical Name:
3-Penten-2-one, 4-phenyl-
CAS Number:
827-69-0
Molecular Formula:
C11H12O
Molecular Weight:
160.2124
IUPAC Name:
4-phenylpent-3-en-2-one
InChI:
InChI=1S/C11H12O/c1-9(8-10(2)12)11-6-4-3-5-7-11/h3-8H,1-2H3
InChI Key:
XURWDTLVUCJELJ-UHFFFAOYSA-N
SMILES:
CC(=CC(=O)C)c1ccccc1
Properties
Complexity:
185
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:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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