Chemical ID: 6847006

Cc1cc(c2c(c1)c(=O)c(c(o2)c3ccccc3Cl)OCC(=O)OC)C
Chemical ID:
6847006
Name [?]:
methyl 2-[2-(2-chlorophenyl)-6,8-dimethyl-4-oxo-chromen-3-yl]oxyacetate
SMILES [?]:
Cc1cc(c2c(c1)c(=O)c(c(o2)c3ccccc3Cl)OCC(=O)OC)C
InChi [?]:
InChI=1/C20H17ClO5/c1-11-8-12(2)18-14(9-11)17(23)20(25-10-16(22)24-3)19(26-18)13-6-4-5-7-15(13)21/h4-9H,10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,26,25,15,16,14,17,3,7,21,2,4,13,6,18,22,8,5,11,10,19,23,9,24,20,12/rA:26nCCCCCCCCOCCOCCCCCCClOCCOOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;s13;d14;s15;d16;d13s17;s18;s10;s20;s21;d22;s22;s24;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17ClO5
All Atoms:43
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.88449
Area:556.556
Solvation:-4.0294
Coulombic:-46.145
Bond Count [?]
All:28
Single:19
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:372.799
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.86
LogP (Chemaxon):4.39

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