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Hydrocotoin

CAT: 0013-GTR19237381-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19237381-02Size:10 mg
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Description
Hydrocotoin is a catechol-derived natural product isolated from the plant Aniba pseudocoto. This small molecule is of interest in phytochemical research and has been utilized in preliminary in vitro studies investigating its potential biological activities.
CAS Number
34425-64-4
Smiles
O=C (C=1C=CC=CC1) C=2C (O) =CC (OC) =CC2OC
Molecular Formula
C15H14O4
Molecular Weight
258.27
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(2-Hydroxy-4,6-dimethoxy-phenyl)-phenyl-methanone

2-benzoyl-3,5-dimethoxyphenol has been reported in Allanblackia floribunda with data available.

CAS Number34425-64-4
PubChem CID3646534
IUPAC Name(2-hydroxy-4,6-dimethoxyphenyl)-phenylmethanone
Molecular FormulaC15H14O4
Molecular Weight258.27
XLogP3.4
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity299
SMILES
COC1=CC(=C(C(=C1)OC)C(=O)C2=CC=CC=C2)O
InChI
InChI=1S/C15H14O4/c1-18-11-8-12(16)14(13(9-11)19-2)15(17)10-6-4-3-5-7-10/h3-9,16H,1-2H3
InChIKey
RVXZNIXBABAEQZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (2-Hydroxy-4,6-dimethoxy-phenyl)-phenyl-methanone
CAS: 34425-64-4
CID: 3646534
Formula: C15H14O4
MW: 258.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight258.27
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass258.08920892
Monoisotopic Mass258.08920892
Topological Polar Surface Area55.8 Ų
Heavy Atom Count19
Formal Charge0
Complexity299
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

Alternative Products

CatalogName
TN8136-01Hydrocotoin

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