ChemDB: Chemical Search
Download
Chemical ID: 5565878
Chemical ID:
5565878
Name [?]:
methyl 3,5-dimethoxy-4-methyl-benzoate
SMILES [?]:
Cc1c(cc(cc1OC)C(=O)OC)OC
InChi [?]:
InChI=1/C11H14O4/c1-7-9(13-2)5-8(11(12)15-4)6-10(7)14-3/h5-6H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,9,15,13,6,4,2,5,7,3,10,11,8,14,12/E:(2,3)(5,6)(9,10)(13,14)/rA:15nCCCCCCCOCCOOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s5;d10;s10;s12;s3;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14O4 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.87047 |
Area: | 386.395 |
Solvation: | -3.7894 |
Coulombic: | -33.4662 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 210.226 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.01 |
LogP (Chemaxon): | 1.56 |
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 |
---|