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2'-Hydroxy-5'-methoxyacetophenone

CAT: 0127-OR017723-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-OR017723-01Size:5 g
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CAS Number
705-15-7
Synonyms
1- (2-Hydroxy-5-methoxyphenyl) ethan-1-one
MDL Number
MFCD00008731
Purity
98%
Smiles
COc1ccc(O)c(c1)C(=O)C

Chemical Information

1-(2-Hydroxy-5-methoxyphenyl)ethan-1-one
CAS Number705-15-7
PubChem CID69714
IUPAC Name1-(2-hydroxy-5-methoxyphenyl)ethanone
Molecular FormulaC9H10O3
Molecular Weight166.17
XLogP2
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity167
SMILES
CC(=O)C1=C(C=CC(=C1)OC)O
InChI
InChI=1S/C9H10O3/c1-6(10)8-5-7(12-2)3-4-9(8)11/h3-5,11H,1-2H3
InChIKey
MLIBGOFSXXWRIY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2-Hydroxy-5-methoxyphenyl)ethan-1-one
CAS: 705-15-7
CID: 69714
Formula: C9H10O3
MW: 166.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight166.17
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass166.062994177
Monoisotopic Mass166.062994177
Topological Polar Surface Area46.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity167
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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