ChemDB: Chemical Search
Download
Chemical ID: 5726443
Chemical ID:
5726443
Name [?]:
(7-methoxy-2-oxo-chromen-4-yl)methyl 3-methoxybenzoate
SMILES [?]:
COc1cccc(c1)C(=O)OCc2cc(=O)oc3c2ccc(c3)OC
InChi [?]:
InChI=1/C19H16O6/c1-22-14-5-3-4-12(8-14)19(21)24-11-13-9-18(20)25-17-10-15(23-2)6-7-16(13)17/h3-10H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,5,6,4,21,20,8,14,23,12,7,13,3,22,19,18,15,9,16,10,2,24,11,17/rA:25nCOCCCCCCCOOCCCCOOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s9;s11;s12;d13;s14;d15;s15;s17;s13s18;d19;s20;d21;d18s22;s22;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16O6 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.22091 |
Area: | 552.351 |
Solvation: | -5.58788 |
Coulombic: | -52.7826 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 340.327 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.17 |
LogP (Chemaxon): | 2.93 |
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 |
---|