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3-Hydroxyphenethyl alcohol

CAT: 0013-GTR19258853-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19258853-01Size:50 mg
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Description
3-Hydroxyphenethyl alcohol is a biochemical compound utilized for research purposes.
CAS Number
13398-94-2
Product Name Alternative
13398942
Purity
97.42% (May vary between batches)
Smiles
OC1=CC=CC (=C1) CCO
Molecular Formula
C8H10O2
Molecular Weight
138.16
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-Hydroxyphenethyl alcohol
CAS Number13398-94-2
PubChem CID83404
IUPAC Name3-(2-hydroxyethyl)phenol
Molecular FormulaC8H10O2
Molecular Weight138.16
XLogP1.2
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity93
SMILES
C1=CC(=CC(=C1)O)CCO
InChI
InChI=1S/C8H10O2/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6,9-10H,4-5H2
InChIKey
AMQIPHZFLIDOCB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Hydroxyphenethyl alcohol
CAS: 13398-94-2
CID: 83404
Formula: C8H10O2
MW: 138.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight138.16
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass138.068079557
Monoisotopic Mass138.068079557
Topological Polar Surface Area40.5 Ų
Heavy Atom Count10
Formal Charge0
Complexity93.3
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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