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Chemical ID: 4573338
Chemical ID:
4573338
Name [?]:
2-[(5-methyl-2-furyl)methylene]-6-[(4-vinylphenyl)methoxy]benzofuran-3-one
SMILES [?]:
Cc1ccc(o1)C=C2C(=O)c3ccc(cc3O2)OCc4ccc(cc4)C=C
InChi [?]:
InChI=1/C23H18O4/c1-3-16-5-7-17(8-6-16)14-25-18-10-11-20-21(12-18)27-22(23(20)24)13-19-9-4-15(2)26-19/h3-13H,1,14H2,2H3
InChi Info:
AuxInfo=1/0/N:27,1,26,3,22,24,21,25,4,13,12,15,7,19,2,23,20,14,5,11,16,8,9,10,18,6,17/E:(5,6)(7,8)/rA:27nCCCCCOCCCOCCCCCCOOCCCCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;w7;s8;d9;s9;s11;d12;s13;d14;d11s15;s8s16;s14;s18;s19;s20;d21;s22;d23;d20s24;s23;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H18O4 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.7897 |
Area: | 587.388 |
Solvation: | -4.895 |
Coulombic: | -32.0787 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 358.387 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.13 |
LogP (Chemaxon): | 4.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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