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Home Other Building Blocks 1-Phenylhexan-2-one

1-Phenylhexan-2-one

CAS No.:
25870-62-6
Catalog Number:
AG003EMI
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
1 week
United States
$70
- +
25g
1 week
United States
$1639
- +
Product Description
Catalog Number:
AG003EMI
Chemical Name:
1-Phenylhexan-2-one
CAS Number:
25870-62-6
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
MDL Number:
MFCD00027240
IUPAC Name:
1-phenylhexan-2-one
InChI:
InChI=1S/C12H16O/c1-2-3-9-12(13)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3
InChI Key:
DYQAZJQDLPPHNB-UHFFFAOYSA-N
SMILES:
CCCCC(=O)Cc1ccccc1
EC Number:
247-306-2
NSC Number:
15336
Properties
Complexity:
145  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.12g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.259g/mol
Monoisotopic Mass:
176.12g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
Positional effect of solute functional group among positional isomers in hydroxyl group-solvent and carbonyl group-solvent specific interactions in menthanol--water mixed solvents monitored by high-performance liquid chromatography. Journal of chromatography. A 20010302
Properties