Chemical ID: 7340930

Cc1c(ccc2c1OC(=Cc3ccc(cc3)OC)C2=O)OC(=O)C
Chemical ID:
7340930
Name [?]:
[2-[(4-methoxyphenyl)methylene]-7-methyl-3-oxo-benzofuran-6-yl] acetate
SMILES [?]:
Cc1c(ccc2c1OC(=Cc3ccc(cc3)OC)C2=O)OC(=O)C
InChi [?]:
InChI=1/C19H16O5/c1-11-16(23-12(2)20)9-8-15-18(21)17(24-19(11)15)10-13-4-6-14(22-3)7-5-13/h4-10H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,24,18,12,16,13,15,5,4,10,2,22,11,14,6,3,9,19,7,23,20,17,21,8/E:(4,5)(6,7)/rA:24nCCCCCCCOCCCCCCCCOCCOOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;w9;s10;s11;d12;s13;d14;d11s15;s14;s17;s6s9;d19;s3;s21;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16O5
All Atoms:40
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.96038
Area:524.742
Solvation:-4.15818
Coulombic:-42.3242
Bond Count [?]
All:26
Single:17
Double:9
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:324.327
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.56
LogP (Chemaxon):3.04

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