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2'-Hydroxy-4',5'-dimethylacetophenone

CAT: 0926-FH24249-02Size: 10 gDry Ice: NoHazardous: No
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CAT#:0926-FH24249-02Size:10 g
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CAS Number
36436-65-4
Synonyms
1- (2-Hydroxy-4,5-dimethylphenyl) ethanone;2-Acetyl-4,5-dimethylphenol;4',5'-Dimethyl-2'-hydroxyacetophenone
MDL Number
MFCD00002306
Smiles
CC1=CC (=C (C=C1C) O) C (=O) C
Molecular Formula
C10H12O2
Molecular Weight
164.2 g/mol
Controlled
No

Chemical Information

2'-Hydroxy-4',5'-dimethylacetophenone

structure in first source

CAS Number36436-65-4
PubChem CID118976
IUPAC Name1-(2-hydroxy-4,5-dimethylphenyl)ethanone
Molecular FormulaC10H12O2
Molecular Weight164.20
XLogP2.5
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity177
SMILES
CC1=CC(=C(C=C1C)O)C(=O)C
InChI
InChI=1S/C10H12O2/c1-6-4-9(8(3)11)10(12)5-7(6)2/h4-5,12H,1-3H3
InChIKey
YXVSURZEXVMUAM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2'-Hydroxy-4',5'-dimethylacetophenone
CAS: 36436-65-4
CID: 118976
Formula: C10H12O2
MW: 164.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight164.20
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass164.083729621
Monoisotopic Mass164.083729621
Topological Polar Surface Area37.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity177
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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