ChemDB: Chemical Search
Download
Chemical ID: 7093298
Chemical ID:
7093298
Name [?]:
3-allyl-4,5-diethoxy-benzaldehyde
SMILES [?]:
CCOc1cc(cc(c1OCC)CC=C)C=O
InChi [?]:
InChI=1/C14H18O3/c1-4-7-12-8-11(10-15)9-13(16-5-2)14(12)17-6-3/h4,8-10H,1,5-7H2,2-3H3
InChi Info:
AuxInfo=1/0/N:15,1,12,14,2,11,13,7,5,16,6,8,4,9,17,3,10/rA:17nCCOCCCCCCOCCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s8;s13;d14;s6;d16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H18O3 |
All Atoms: | 35 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.65784 |
Area: | 448.243 |
Solvation: | -4.54823 |
Coulombic: | -23.7305 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 234.291 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.21 |
LogP (Chemaxon): | 2.95 |
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 |
---|