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Sesamol

CAT: 1596-AR-P01487-02Size: 100 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-P01487-02Size:100 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
533-31-3
Synonyms
1,3-Benzodioxol-5-ol; 3,4- (Methylenedioxy) phenol; 4-Hydroxy-1,2-methylenedioxybenzene; 5-Hydroxy-1,3-benzodioxole; NSC 59256; Paroxetine Anhydrous EP Impurity B
Molecular Formula
C7H6O3
Molecular Weight
138.12
API Name
Paroxetine

Chemical Information

Sesamol

Sesamol is a member of benzodioxoles.

CAS Number533-31-3
PubChem CID68289
IUPAC Name1,3-benzodioxol-5-ol
Molecular FormulaC7H6O3
Molecular Weight138.12
XLogP1.2
Topological Polar Surface Area38.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity126
SMILES
C1OC2=C(O1)C=C(C=C2)O
InChI
InChI=1S/C7H6O3/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3,8H,4H2
InChIKey
LUSZGTFNYDARNI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sesamol
CAS: 533-31-3
CID: 68289
Formula: C7H6O3
MW: 138.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight138.12
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass138.031694049
Monoisotopic Mass138.031694049
Topological Polar Surface Area38.7 Ų
Heavy Atom Count10
Formal Charge0
Complexity126
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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