ChemDB: Chemical Search
Download
Chemical ID: 3964477
Chemical ID:
3964477
Name [?]:
2,4,6-trimethoxybenzaldehyde
SMILES [?]:
COc1cc(c(c(c1)OC)C=O)OC
InChi [?]:
InChI=1/C10H12O4/c1-12-7-4-9(13-2)8(6-11)10(5-7)14-3/h4-6H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,10,14,8,4,11,3,6,7,5,12,2,9,13/E:(2,3)(4,5)(9,10)(13,14)/rA:14nCOCCCCCCOCCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;d11;s5;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H12O4 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.04023 |
Area: | 357.404 |
Solvation: | -5.89487 |
Coulombic: | -26.5802 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 196.2 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 1.46 |
LogP (Chemaxon): | 0.96 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|