Chemical ID: 6846962

Cc1ccc(cc1)c2c(c(=O)c3cc(cc(c3o2)C)C)OCC(=O)[O-]
Chemical ID:
6846962
Name [?]:
2-[6,8-dimethyl-4-oxo-2-(p-tolyl)chromen-3-yl]oxyacetate
SMILES [?]:
Cc1ccc(cc1)c2c(c(=O)c3cc(cc(c3o2)C)C)OCC(=O)[O-]
InChi [?]:
InChI=1/C20H18O5/c1-11-4-6-14(7-5-11)19-20(24-10-16(21)22)17(23)15-9-12(2)8-13(3)18(15)25-19/h4-9H,10H2,1-3H3,(H,21,22)/p-1
InChi Info:
AuxInfo=1/1/N:1,20,19,3,7,4,6,15,13,22,2,14,16,5,12,23,10,17,8,9,24,25,11,21,18/E:(4,5)(6,7)(21,22)/rA:25nCCCCCCCCCCOCCCCCCOCCOCCOO-/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;d10;s10;s12;d13;s14;d15;d12s16;s8s17;s16;s14;s9;s21;s22;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17O5-
All Atoms:42
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:-32.3616
Area:535.446
Solvation:-45.7477
Coulombic:-27.1585
Bond Count [?]
All:27
Single:18
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:337.346
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.87
LogP (Chemaxon):4.31

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