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2,4,6-Trimethoxybenzaldehyde

CAT: 0572-TRC-T795835-50GSize: 50 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-T795835-50GSize:50 g
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CAS Number
830-79-5
Synonyms
2,4,6-Trimethoxybenzaldehyde
Hazard Statement
No Data Available
Smiles
COc1cc(OC)c(C=O)c(OC)c1
Molecular Formula
C10H12O4
Molecular Weight
196.2
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2,4,6-Trimethoxybenzaldehyde

2,4,6-Trimethoxybenzaldehyde has been reported in Siphoneugena densiflora and Cassia grandis with data available.

CAS Number830-79-5
PubChem CID70019
IUPAC Name2,4,6-trimethoxybenzaldehyde
Molecular FormulaC10H12O4
Molecular Weight196.20
XLogP1.3
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count14
Formal Charge0
Complexity169
SMILES
COC1=CC(=C(C(=C1)OC)C=O)OC
InChI
InChI=1S/C10H12O4/c1-12-7-4-9(13-2)8(6-11)10(5-7)14-3/h4-6H,1-3H3
InChIKey
CRBZVDLXAIFERF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4,6-Trimethoxybenzaldehyde
CAS: 830-79-5
CID: 70019
Formula: C10H12O4
MW: 196.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight196.20
XLogP31.3
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
Complexity169
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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