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2'-Hydroxyacetophenone

CAT: 0926-FH64535-01Size: 2 KgDry Ice: NoHazardous: No
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CAT#:0926-FH64535-01Size:2 Kg
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CAS Number
118-93-4
MDL Number
MFCD00002219
Smiles
CC (=O) C1=CC=CC=C1O
Molecular Formula
C8H8O2
Molecular Weight
136.15 g/mol
Controlled
No

Chemical Information

2'-Hydroxyacetophenone

2-acetylphenol is a monohydroxyacetophenone that is acetophenone in which one of the hydrogens ortho to the acetyl group has been replaced by a hydroxy group. It has a role as a flavouring agent. It is a monohydroxyacetophenone and a member of phenols.

CAS Number118-93-4
PubChem CID8375
IUPAC Name1-(2-hydroxyphenyl)ethanone
Molecular FormulaC8H8O2
Molecular Weight136.15
XLogP1.9
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity131
SMILES
CC(=O)C1=CC=CC=C1O
InChI
InChI=1S/C8H8O2/c1-6(9)7-4-2-3-5-8(7)10/h2-5,10H,1H3
InChIKey
JECYUBVRTQDVAT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2'-Hydroxyacetophenone
CAS: 118-93-4
CID: 8375
Formula: C8H8O2
MW: 136.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight136.15
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass136.052429494
Monoisotopic Mass136.052429494
Topological Polar Surface Area37.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity131
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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