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Home > Other Building Blocks > 88718-48-3
88718-48-3 | 4-Hexen-2-one, 4-phenyl-
CAS No: 88718-48-3 Catalog No: AG0046NF MDL No:
Product Description
Catalog Number:
AG0046NF
Chemical Name:
4-Hexen-2-one, 4-phenyl-
CAS Number:
88718-48-3
Molecular Formula:
C12H14O
Molecular Weight:
174.2390
IUPAC Name:
4-phenylhex-4-en-2-one
InChI:
InChI=1S/C12H14O/c1-3-11(9-10(2)13)12-7-5-4-6-8-12/h3-8H,9H2,1-2H3
InChI Key:
MRQOHFRRCUVDJD-UHFFFAOYSA-N
SMILES:
CC=C(c1ccccc1)CC(=O)C
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:
2.8
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