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141515-81-3 | 5-Hexen-3-one, 2-phenyl-, (2R)-
CAS No: 141515-81-3 Catalog No: AG001GJF MDL No:
Product Description
Catalog Number:
AG001GJF
Chemical Name:
5-Hexen-3-one, 2-phenyl-, (2R)-
CAS Number:
141515-81-3
Molecular Formula:
C12H14O
Molecular Weight:
174.2390
IUPAC Name:
2-phenylhex-5-en-3-one
InChI:
InChI=1S/C12H14O/c1-3-7-12(13)10(2)11-8-5-4-6-9-11/h3-6,8-10H,1,7H2,2H3
InChI Key:
IZFWRMNLHWECDF-UHFFFAOYSA-N
SMILES:
C=CCC(=O)[C@@H](c1ccccc1)C
Properties
Complexity:
178
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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