Chemical ID: 4574055

CCC(=O)Oc1ccc2c(c1)OC(=Cc3ccc(c(c3)OC)OC)C2=O
Chemical ID:
4574055
Name [?]:
[2-[(3,4-dimethoxyphenyl)methylene]-3-oxo-benzofuran-6-yl] propanoate
SMILES [?]:
CCC(=O)Oc1ccc2c(c1)OC(=Cc3ccc(c(c3)OC)OC)C2=O
InChi [?]:
InChI=1/C20H18O6/c1-4-19(21)25-13-6-7-14-16(11-13)26-18(20(14)22)10-12-5-8-15(23-2)17(9-12)24-3/h5-11H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,24,22,2,16,7,8,17,20,14,11,15,6,9,18,10,19,13,3,25,4,26,23,21,5,12/rA:26nCCCOOCCCCCCOCCCCCCCCOCOCCO/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s19;s21;s18;s23;s9s13;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18O6
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:8.24139
Area:577.777
Solvation:-6.20305
Coulombic:-49.0713
Bond Count [?]
All:28
Single:19
Double:9
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:354.353
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.23
LogP (Chemaxon):2.95

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Descriptor Annotations

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