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Homovanillyl Alcohol

CAT: 1596-AR-T06272-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-T06272-01Size:10 Units
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CAS Number
2380-78-1
Synonyms
4- (2-hydroxyethyl) -2-methoxyphenol
Molecular Formula
C9H12O3
Molecular Weight
168.19
API Name
Tyrosol

Chemical Information

Homovanillyl alcohol

(4-Hydroxy-3-methoxyphenyl)ethanol is a member of phenols and a member of methoxybenzenes.

CAS Number2380-78-1
PubChem CID16928
IUPAC Name4-(2-hydroxyethyl)-2-methoxyphenol
Molecular FormulaC9H12O3
Molecular Weight168.19
XLogP0.5
Topological Polar Surface Area49.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity127
SMILES
COC1=C(C=CC(=C1)CCO)O
InChI
InChI=1S/C9H12O3/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,10-11H,4-5H2,1H3
InChIKey
XHUBSJRBOQIZNI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Homovanillyl alcohol
CAS: 2380-78-1
CID: 16928
Formula: C9H12O3
MW: 168.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight168.19
XLogP30.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass168.078644241
Monoisotopic Mass168.078644241
Topological Polar Surface Area49.7 Ų
Heavy Atom Count12
Formal Charge0
Complexity127
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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