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2',6'-Dihydroxy-4'-methoxy-3'-methylacetophenone

CAT: 0926-UCA48006-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-UCA48006-01Size:25 mg
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CAS Number
69480-06-4
Smiles
CC1=C (C=C (C (=C1O) C (=O) C) O) OC
Molecular Formula
C10H12O4
Molecular Weight
196.2 g/mol
Controlled
No

Chemical Information

1-(2,6-Dihydroxy-4-methoxy-3-methylphenyl)ethanone

1-(2,6-dihydroxy-4-methoxy-3-methylphenyl)ethanone has been reported in Stereocaulon alpinum, Mallotus japonicus, and other organisms with data available.

CAS Number69480-06-4
PubChem CID14602300
IUPAC Name1-(2,6-dihydroxy-4-methoxy-3-methylphenyl)ethanone
Molecular FormulaC10H12O4
Molecular Weight196.20
XLogP1.8
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity216
SMILES
CC1=C(C=C(C(=C1O)C(=O)C)O)OC
InChI
InChI=1S/C10H12O4/c1-5-8(14-3)4-7(12)9(6(2)11)10(5)13/h4,12-13H,1-3H3
InChIKey
LWIPTFGZKUVFKC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2,6-Dihydroxy-4-methoxy-3-methylphenyl)ethanone
CAS: 69480-06-4
CID: 14602300
Formula: C10H12O4
MW: 196.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight196.20
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass196.07355886
Monoisotopic Mass196.07355886
Topological Polar Surface Area66.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity216
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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