ChemDB: Chemical Search
Download
Chemical ID: 4561056
Chemical ID:
4561056
Name [?]:
7-methoxy-2,5-dioxabicyclo[4.4.0]deca-6,8,10-triene-10-carbaldehyde
SMILES [?]:
COc1ccc(c2c1OCCO2)C=O
InChi [?]:
InChI=1/C10H10O4/c1-12-8-3-2-7(6-11)9-10(8)14-5-4-13-9/h2-3,6H,4-5H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,4,11,10,13,6,3,7,8,14,2,12,9/rA:14nCOCCCCCCOCCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s7s11;s6;d13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H10O4 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.83827 |
Area: | 346.097 |
Solvation: | -4.81416 |
Coulombic: | -30.4155 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 194.184 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 1.25 |
LogP (Chemaxon): | 0.79 |
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 |
---|