ChemDB: Chemical Search
Download
Chemical ID: 5788487
Chemical ID:
5788487
Name [?]:
methyl 2-formyl-3,5-dimethoxy-benzoate
SMILES [?]:
COc1cc(c(c(c1)OC)C=O)C(=O)OC
InChi [?]:
InChI=1/C11H12O5/c1-14-7-4-8(11(13)16-3)9(6-12)10(5-7)15-2/h4-6H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,10,16,4,8,11,3,5,6,7,13,12,14,2,9,15/rA:16nCOCCCCCCOCCOCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;d11;s5;d13;s13;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H12O5 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.09812 |
Area: | 391.347 |
Solvation: | -5.68555 |
Coulombic: | -38.1513 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 224.21 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 1.48 |
LogP (Chemaxon): | 0.76 |
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 |
---|