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Chemical ID: 7339399
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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