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4,5-Dimethoxyphthalaldehyde

CAT: 0127-OR1047601-02Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1047601-02Size:250 mg
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CAS Number
43073-12-7
MDL Number
MFCD00185592
Purity
95%
Smiles
O=CC1=CC(OC)=C(OC)C=C1C=O

Chemical Information

4,5-Dimethoxyphthalaldehyde

See also: 4,5-Dimethylphthalanhydride (annotation moved to).

CAS Number43073-12-7
PubChem CID330538
IUPAC Name4,5-dimethoxyphthalaldehyde
Molecular FormulaC10H10O4
Molecular Weight194.18
XLogP0.8
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count14
Formal Charge0
Complexity182
SMILES
COC1=C(C=C(C(=C1)C=O)C=O)OC
InChI
InChI=1S/C10H10O4/c1-13-9-3-7(5-11)8(6-12)4-10(9)14-2/h3-6H,1-2H3
InChIKey
SYWVJRSBQCVFHO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,5-Dimethoxyphthalaldehyde
CAS: 43073-12-7
CID: 330538
Formula: C10H10O4
MW: 194.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight194.18
XLogP30.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass194.05790880
Monoisotopic Mass194.05790880
Topological Polar Surface Area52.6 Ų
Heavy Atom Count14
Formal Charge0
Complexity182
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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