ChemDB: Chemical Search
Download
Chemical ID: 6875842
Chemical ID:
6875842
Name [?]:
2-ethoxyethyl 2-[3-(2-ethylphenoxy)-4-oxo-chromen-7-yl]oxyacetate
SMILES [?]:
CCc1ccccc1Oc2coc3cc(ccc3c2=O)OCC(=O)OCCOCC
InChi [?]:
InChI=1/C23H24O7/c1-3-16-7-5-6-8-19(16)30-21-14-29-20-13-17(9-10-18(20)23(21)25)28-15-22(24)27-12-11-26-4-2/h5-10,13-14H,3-4,11-12,15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,30,2,29,5,6,4,7,16,17,27,26,14,11,22,3,15,18,8,13,10,23,19,24,20,28,25,21,12,9/rA:30nCCCCCCCCOCCOCCCCCCCOOCCOOCCOCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;d13s17;s10s18;d19;s15;s21;s22;d23;s23;s25;s26;s27;s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H24O7 |
All Atoms: | 54 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.56801 |
Area: | 668.057 |
Solvation: | -7.13342 |
Coulombic: | -58.8259 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 412.432 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 4.03 |
LogP (Chemaxon): | 3.96 |
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 |
---|