ChemDB: Chemical Search
Download
Chemical ID: 3964472
Chemical ID:
3964472
Name [?]:
4-hydroxy-2,6-dimethoxy-benzene-1,3-dicarbaldehyde
SMILES [?]:
COc1cc(c(c(c1C=O)OC)C=O)O
InChi [?]:
InChI=1/C10H10O5/c1-14-9-3-8(13)6(4-11)10(15-2)7(9)5-12/h3-5,13H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,4,13,9,6,8,5,3,7,14,10,15,2,11/rA:15nCOCCCCCCCOOCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s7;s11;s6;d13;s5;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H10O5 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 2.1682 |
Area: | 365.408 |
Solvation: | -6.96701 |
Coulombic: | -40.9573 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 210.183 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.27 |
LogP (Chemaxon): | 1.26 |
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 |
---|