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1- (2-hydroxy-3-methoxy-phenyl) ethanone

CAT: 0931-Fr21225-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr21225-01Size:200 mg
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CAS Number
703-98-0
Bioactivity
1- (2-hydroxy-3-methoxy-phenyl) ethanone, with CAS No. 703-98-0, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. 1- (2-hydroxy-3-methoxy-phenyl) ethanone provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
COc1cccc(C(C)=O)c1O
Molecular Formula
C9H10O3
Molecular Weight
166.176
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2'-Hydroxy-3'-methoxyacetophenone
CAS Number703-98-0
PubChem CID95993
IUPAC Name1-(2-hydroxy-3-methoxyphenyl)ethanone
Molecular FormulaC9H10O3
Molecular Weight166.17
XLogP1.8
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity167
SMILES
CC(=O)C1=C(C(=CC=C1)OC)O
InChI
InChI=1S/C9H10O3/c1-6(10)7-4-3-5-8(12-2)9(7)11/h3-5,11H,1-2H3
InChIKey
VZEOJJIAYZCDPI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2'-Hydroxy-3'-methoxyacetophenone
CAS: 703-98-0
CID: 95993
Formula: C9H10O3
MW: 166.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight166.17
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass166.062994177
Monoisotopic Mass166.062994177
Topological Polar Surface Area46.5 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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