ChemDB: Chemical Search
Download
Chemical ID: 6638286
Chemical ID:
6638286
Name [?]:
3-(5-acetoxy-2,4-dimethoxy-phenyl)prop-2-enoic acid
SMILES [?]:
CC(=O)Oc1cc(c(cc1OC)OC)C=CC(=O)O
InChi [?]:
InChI=1/C13H14O6/c1-8(14)19-12-6-9(4-5-13(15)16)10(17-2)7-11(12)18-3/h4-7H,1-3H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,14,12,15,16,6,9,2,7,8,10,5,17,3,18,19,13,11,4/E:(15,16)/rA:19nCCOOCCCCCCOCOCCCCOO/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;s11;s8;s13;s7;w15;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H14O6 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.36669 |
Area: | 443.534 |
Solvation: | -5.72167 |
Coulombic: | -57.355 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 266.247 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.26 |
LogP (Chemaxon): | 1.15 |
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 |
---|