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2,3,4-Trimethoxybenzaldehyde

CAT: 0572-TRC-T795685-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-T795685-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2103-57-3
Synonyms
Trimetazidine Dihydrochloride Imp. C (EP); Trimetazidine Imp. C (EP); 2,3,4-Trimethoxybenzaldehyde; Trimetazidine Dihydrochloride Impurity C; Trimetazidine Impurity C
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
COc1ccc(C=O)c(OC)c1OC
Molecular Formula
C10 H12 O4
Molecular Weight
196.2
InChI
InChI=1S/C10H12O4/c1-12-8-5-4-7(6-11)9(13-2)10(8)14-3/h4-6H,1-3H3
Additionnal Information
IUPAC name: 2,3,4-trimethoxybenzaldehyde
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

2,3,4-Trimethoxybenzaldehyde
CAS Number2103-57-3
PubChem CID75006
IUPAC Name2,3,4-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
Complexity183
SMILES
COC1=C(C(=C(C=C1)C=O)OC)OC
InChI
InChI=1S/C10H12O4/c1-12-8-5-4-7(6-11)9(13-2)10(8)14-3/h4-6H,1-3H3
InChIKey
UCTUXUGXIFRVGX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,3,4-Trimethoxybenzaldehyde
CAS: 2103-57-3
CID: 75006
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
Complexity183
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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