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4'-Hydroxyacetophenone

CAT: 0926-FH24301-01Size: 5 KgDry Ice: NoHazardous: No
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CAT#:0926-FH24301-01Size:5 Kg
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CAS Number
99-93-4
Synonyms
1- (4-Hydroxyphenyl) ethanone;4-Acetophenol;4-Acetylphenol
MDL Number
MFCD00002359
Smiles
CC (=O) C1=CC=C (C=C1) O
Molecular Formula
C8H8O2
Molecular Weight
136.15 g/mol
Controlled
No

Chemical Information

4'-Hydroxyacetophenone

4'-hydroxyacetophenone is a monohydroxyacetophenone carrying a hydroxy substituent at position 4'. It has a role as a mouse metabolite, a plant metabolite and a fungal metabolite.

CAS Number99-93-4
PubChem CID7469
IUPAC Name1-(4-hydroxyphenyl)ethanone
Molecular FormulaC8H8O2
Molecular Weight136.15
XLogP1.4
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity123
SMILES
CC(=O)C1=CC=C(C=C1)O
InChI
InChI=1S/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3
InChIKey
TXFPEBPIARQUIG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4'-Hydroxyacetophenone
CAS: 99-93-4
CID: 7469
Formula: C8H8O2
MW: 136.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight136.15
XLogP31.4
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
Complexity123
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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CatalogName
TRC-H739980-1G4'-Hydroxyacetophenone
H9100-014-Hydroxyacetophenone
T10143-014-Hydroxyacetophenone oxime
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sc-4906174'-Hydroxyacetophenone-13C2
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