Chemical ID: 4556608

CCc1c(c(=O)c2ccc(cc2o1)OC(=O)CC)c3ccc4c(c3)OCCO4
Chemical ID:
4556608
Name [?]:
[3-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-yl)-2-ethyl-4-oxo-chromen-7-yl] propanoate
SMILES [?]:
CCc1c(c(=O)c2ccc(cc2o1)OC(=O)CC)c3ccc4c(c3)OCCO4
InChi [?]:
InChI=1/C22H20O6/c1-3-16-21(13-5-8-17-19(11-13)26-10-9-25-17)22(24)15-7-6-14(12-18(15)28-16)27-20(23)4-2/h5-8,11-12H,3-4,9-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,2,17,20,9,8,21,27,26,24,11,19,10,7,3,22,12,23,15,4,5,16,6,28,25,14,13/rA:28nCCCCCOCCCCCCOOCOCCCCCCCCOCCO/rB:s1;s2;d3;s4;d5;s5;s7;d8;s9;d10;d7s11;s3s12;s10;s14;d15;s15;s17;s4;s19;d20;s21;d22;d19s23;s23;s25;s26;s22s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H20O6
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.87902
Area:584.245
Solvation:-4.72711
Coulombic:-50.1059
Bond Count [?]
All:31
Single:22
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:380.391
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.68
LogP (Chemaxon):3.78

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Descriptor Annotations

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