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Phenol, 2,3-dimethoxy-, 1-acetate

CAT: 0127-OR1089130-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1089130-01Size:250 mg
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CAS Number
27257-08-5
MDL Number
MFCD25977414
Purity
95%
Smiles
O (C (=O) C) c1c (OC) c (OC) ccc1

Chemical Information

2,3-Dimethoxyphenol acetate
CAS Number27257-08-5
PubChem CID593003
IUPAC Name(2,3-dimethoxyphenyl) acetate
Molecular FormulaC10H12O4
Molecular Weight196.20
XLogP1.4
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count14
Formal Charge0
Complexity193
SMILES
CC(=O)OC1=CC=CC(=C1OC)OC
InChI
InChI=1S/C10H12O4/c1-7(11)14-9-6-4-5-8(12-2)10(9)13-3/h4-6H,1-3H3
InChIKey
RVVWZHFHRWHWHT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,3-Dimethoxyphenol acetate
CAS: 27257-08-5
CID: 593003
Formula: C10H12O4
MW: 196.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight196.20
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass196.07355886
Monoisotopic Mass196.07355886
Topological Polar Surface Area44.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity193
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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