Chemical ID: 7347405

COc1cc(ccc1O)C=C2C(=O)c3ccc(cc3O2)O
Chemical ID:
7347405
Name [?]:
6-hydroxy-2-[(4-hydroxy-3-methoxy-phenyl)methylene]benzofuran-3-one
SMILES [?]:
COc1cc(ccc1O)C=C2C(=O)c3ccc(cc3O2)O
InChi [?]:
InChI=1/C16H12O5/c1-20-14-6-9(2-5-12(14)18)7-15-16(19)11-4-3-10(17)8-13(11)21-15/h2-8,17-18H,1H3
InChi Info:
AuxInfo=1/0/N:1,6,16,15,7,4,10,18,5,17,14,8,19,3,11,12,21,9,13,2,20/rA:21nCOCCCCCCOCCCOCCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s5;w10;s11;d12;s12;s14;d15;s16;d17;d14s18;s11s19;s17;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12O5
All Atoms:33
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:6.50785
Area:472.253
Solvation:-5.29848
Coulombic:-56.5267
Bond Count [?]
All:23
Single:15
Double:8
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:284.263
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.73
LogP (Chemaxon):2.51

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Descriptor Annotations

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