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3,5-Dimethoxybenzaldehyde

CAT: 0572-TRC-D469630-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D469630-10GSize:10 g
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CAS Number
7311-34-4
Synonyms
NSC 62667
Hazard Statement
No Data Available
Smiles
COc1cc(OC)cc(C=O)c1
Molecular Formula
C9H10O3
Molecular Weight
166.17
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

3,5-Dimethoxybenzaldehyde

3,5-Dimethoxybenzaldehyde is a dimethoxybenzene.

CAS Number7311-34-4
PubChem CID81747
IUPAC Name3,5-dimethoxybenzaldehyde
Molecular FormulaC9H10O3
Molecular Weight166.17
XLogP1.3
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity135
SMILES
COC1=CC(=CC(=C1)C=O)OC
InChI
InChI=1S/C9H10O3/c1-11-8-3-7(6-10)4-9(5-8)12-2/h3-6H,1-2H3
InChIKey
VFZRZRDOXPRTSC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,5-Dimethoxybenzaldehyde
CAS: 7311-34-4
CID: 81747
Formula: C9H10O3
MW: 166.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight166.17
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass166.062994177
Monoisotopic Mass166.062994177
Topological Polar Surface Area35.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity135
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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