ChemDB: Chemical Search
Download
Chemical ID: 6850706
Chemical ID:
6850706
Name [?]:
2-(6,8-dimethyl-4-oxo-chromen-2-yl)benzoate
SMILES [?]:
Cc1cc(c2c(c1)c(=O)cc(o2)c3ccccc3C(=O)[O-])C
InChi [?]:
InChI=1/C18H14O4/c1-10-7-11(2)17-14(8-10)15(19)9-16(22-17)12-5-3-4-6-13(12)18(20)21/h3-9H,1-2H3,(H,20,21)/p-1
InChi Info:
AuxInfo=1/1/N:1,22,15,16,14,17,3,7,10,2,4,13,18,6,8,11,5,19,9,20,21,12/E:(20,21)/rA:22nCCCCCCCCOCCOCCCCCCCOO-C/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;s13;d14;s15;d16;d13s17;s18;d19;s19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H13O4- |
All Atoms: | 35 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -31.1724 |
Area: | 461.568 |
Solvation: | -42.7116 |
Coulombic: | -12.7036 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 293.293 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.43 |
LogP (Chemaxon): | 4.07 |
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 |
---|