Chemical ID: 7339399

COc1ccc2c(c1)OC(=Cc3ccccc3O)C2=O
Chemical ID:
7339399
Name [?]:
2-[(2-hydroxyphenyl)methylene]-6-methoxy-benzofuran-3-one
SMILES [?]:
COc1ccc2c(c1)OC(=Cc3ccccc3O)C2=O
InChi [?]:
InChI=1/C16H12O4/c1-19-11-6-7-12-14(9-11)20-15(16(12)18)8-10-4-2-3-5-13(10)17/h2-9,17H,1H3
InChi Info:
AuxInfo=1/0/N:1,14,15,13,16,4,5,11,8,12,3,6,17,7,10,19,18,20,2,9/rA:20nCOCCCCCCOCCCCCCCCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;w10;s11;s12;d13;s14;d15;d12s16;s17;s6s10;d19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12O4
All Atoms:32
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.46127
Area:452.388
Solvation:-3.84842
Coulombic:-41.6321
Bond Count [?]
All:22
Single:14
Double:8
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:268.264
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.14
LogP (Chemaxon):2.79

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