ChemDB: Chemical Search
Download
Chemical ID: 4554536
Chemical ID:
4554536
Name [?]:
ethyl 2-(4-oxo-3-phenoxy-chromen-7-yl)oxypropanoate
SMILES [?]:
CCOC(=O)C(C)Oc1ccc2c(c1)occ(c2=O)Oc3ccccc3
InChi [?]:
InChI=1/C20H18O6/c1-3-23-20(22)13(2)25-15-9-10-16-17(11-15)24-12-18(19(16)21)26-14-7-5-4-6-8-14/h4-13H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,7,2,24,23,25,22,26,10,11,14,16,6,21,9,12,13,17,18,4,19,5,3,15,8,20/E:(5,6)(7,8)/rA:26cCCOCOCCOCCCCCCOCCCOOCCCCCC/rB:s1;s2;s3;d4;s4;s6;s6;s8;s9;d10;s11;d12;d9s13;s13;s15;d16;s12s17;d18;s17;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18O6 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.26228 |
Area: | 572.968 |
Solvation: | -5.06191 |
Coulombic: | -52.4239 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 354.353 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 4.05 |
LogP (Chemaxon): | 3.8 |
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 |
---|