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4-Hydroxybenzyl alcohol

CAT: 0063-32349776-500gSize: 500 gDry Ice: NoHazardous: No
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CAT#:0063-32349776-500gSize:500 g
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CAS Number
623-05-2
Molecular Formula
C7H8O2
Molecular Weight
124.14

Chemical Information

4-Hydroxybenzyl Alcohol

P-hydroxybenzyl alcohol is a member of the class of benzyl alcohols that is benzyl alcohol substituted by a hydroxy group at position 4. It has been isolated from Arcangelisia gusanlung. It has a role as a plant metabolite. It is a member of benzyl alcohols and a member of phenols.

CAS Number623-05-2
PubChem CID125
IUPAC Name4-(hydroxymethyl)phenol
Molecular FormulaC7H8O2
Molecular Weight124.14
XLogP0.2
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity75
SMILES
C1=CC(=CC=C1CO)O
InChI
InChI=1S/C7H8O2/c8-5-6-1-3-7(9)4-2-6/h1-4,8-9H,5H2
InChIKey
BVJSUAQZOZWCKN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxybenzyl Alcohol
CAS: 623-05-2
CID: 125
Formula: C7H8O2
MW: 124.14
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight124.14
XLogP30.2
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
Complexity75
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