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24612-11-1 | 4-Hexen-3-one, 4-phenyl-, (E)- (8CI,9CI)
CAS No: 24612-11-1 Catalog No: AG002ORQ MDL No:
Product Description
Catalog Number:
AG002ORQ
Chemical Name:
4-Hexen-3-one, 4-phenyl-, (E)- (8CI,9CI)
CAS Number:
24612-11-1
Molecular Formula:
C12H14O
Molecular Weight:
174.2390
IUPAC Name:
4-phenylhex-4-en-3-one
InChI:
InChI=1S/C12H14O/c1-3-11(12(13)4-2)10-8-6-5-7-9-10/h3,5-9H,4H2,1-2H3
InChI Key:
AYRGAPNSYOFPOB-UHFFFAOYSA-N
SMILES:
CCC(=O)/C(=C/C)/c1ccccc1
Properties
Complexity:
197
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:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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