Chemical ID: 4573197

COc1ccc(c(c1)C=C2C(=O)c3ccc(cc3O2)O)OC
Chemical ID:
4573197
Name [?]:
2-[(2,5-dimethoxyphenyl)methylene]-6-hydroxy-benzofuran-3-one
SMILES [?]:
COc1ccc(c(c1)C=C2C(=O)c3ccc(cc3O2)O)OC
InChi [?]:
InChI=1/C17H14O5/c1-20-12-4-6-14(21-2)10(7-12)8-16-17(19)13-5-3-11(18)9-15(13)22-16/h3-9,18H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,15,4,14,5,8,9,17,7,16,3,13,6,18,10,11,20,12,2,21,19/rA:22nCOCCCCCCCCCOCCCCCCOOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;d11;s11;s13;d14;s15;d16;d13s17;s10s18;s16;s6;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14O5
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:6.44316
Area:477.921
Solvation:-5.50487
Coulombic:-47.1215
Bond Count [?]
All:24
Single:16
Double:8
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:298.29
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.06
LogP (Chemaxon):2.54

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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