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1-[2-Hydroxy-4- (hydroxymethyl) phenyl]ethanone

CAT: 0013-GTR19179932Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19179932Size:5 mg
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Description
This natural product, 1-[2-Hydroxy-4- (hydroxymethyl) phenyl]ethanone (CAS 22518-00-9), is a small molecule for life science research. It serves as a biochemical tool for in vitro studies, with potential research applications in exploring natural product chemistry and biological activity.
CAS Number
22518-00-9
Smiles
CC (c (ccc (CO) c1) c1O) =O
Molecular Formula
C9H10O3
Molecular Weight
166.17
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-[2-Hydroxy-4-(hydroxymethyl)phenyl]ethanone

1-[2-hydroxy-4-(hydroxymethyl)phenyl]ethan-1-one is a member of acetophenones. It has a role as a metabolite.

CAS Number22518-00-9
PubChem CID56663527
IUPAC Name1-[2-hydroxy-4-(hydroxymethyl)phenyl]ethanone
Molecular FormulaC9H10O3
Molecular Weight166.17
XLogP0.9
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity167
SMILES
CC(=O)C1=C(C=C(C=C1)CO)O
InChI
InChI=1S/C9H10O3/c1-6(11)8-3-2-7(5-10)4-9(8)12/h2-4,10,12H,5H2,1H3
InChIKey
CEKCNQSWPNISHG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-[2-Hydroxy-4-(hydroxymethyl)phenyl]ethanone
CAS: 22518-00-9
CID: 56663527
Formula: C9H10O3
MW: 166.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight166.17
XLogP30.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass166.062994177
Monoisotopic Mass166.062994177
Topological Polar Surface Area57.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity167
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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PC10010022,2,2-Trifluoro-1- (4- (hydroxymethyl) phenyl) ethanone
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