Chemical ID: 6847380

Cc1cc(c2c(c1)oc(c(c2=O)OCC(=O)C)c3ccc(c(c3)OC)OC)C
Chemical ID:
6847380
Name [?]:
3-acetonyloxy-2-(3,4-dimethoxyphenyl)-5,7-dimethyl-chromen-4-one
SMILES [?]:
Cc1cc(c2c(c1)oc(c(c2=O)OCC(=O)C)c3ccc(c(c3)OC)OC)C
InChi [?]:
InChI=1/C22H22O6/c1-12-8-13(2)19-18(9-12)28-21(22(20(19)24)27-11-14(3)23)15-6-7-16(25-4)17(10-15)26-5/h6-10H,11H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,28,17,27,25,19,20,3,7,23,14,2,4,15,18,21,22,6,5,11,9,10,16,12,26,24,13,8/rA:28nCCCCCCCOCCCOOCCOCCCCCCCOCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s5s10;d11;s10;s13;s14;d15;s15;s9;s18;d19;s20;d21;d18s22;s22;s24;s21;s26;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H22O6
All Atoms:50
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:6.72853
Area:591.037
Solvation:-8.04741
Coulombic:-45.4632
Bond Count [?]
All:30
Single:21
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:382.406
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.95
LogP (Chemaxon):3.88

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue