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Saligenin

CAT: 0926-FS67470-05Size: 10 KgDry Ice: NoHazardous: No
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CAT#:0926-FS67470-05Size:10 Kg
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CAS Number
90-01-7
Synonyms
O-Hydroxybenzyl alcohol; Salicyl alcohol
MDL Number
MFCD00004617
Smiles
OCc1ccccc1O
Molecular Formula
C7H8O2
Molecular Weight
124.14 g/mol
Controlled
No

Chemical Information

Salicyl Alcohol

Salicyl alcohol is a hydroxybenzyl alcohol that is phenol substituted by a hydroxymethyl group at C-2. It has a role as a human urinary metabolite. It is a hydroxybenzyl alcohol and an aromatic primary alcohol. It is functionally related to a phenol and a benzyl alcohol.

CAS Number90-01-7
PubChem CID5146
IUPAC Name2-(hydroxymethyl)phenol
Molecular FormulaC7H8O2
Molecular Weight124.14
XLogP0.7
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity83
SMILES
C1=CC=C(C(=C1)CO)O
InChI
InChI=1S/C7H8O2/c8-5-6-3-1-2-4-7(6)9/h1-4,8-9H,5H2
InChIKey
CQRYARSYNCAZFO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Salicyl Alcohol
CAS: 90-01-7
CID: 5146
Formula: C7H8O2
MW: 124.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight124.14
XLogP30.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass124.052429494
Monoisotopic Mass124.052429494
Topological Polar Surface Area40.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity83
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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