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Chemical ID: 7343184
Chemical ID:
7343184
Name [?]:
2-[(3,4-dimethoxyphenyl)methylene]-6-methoxy-7-methyl-benzofuran-3-one
SMILES [?]:
Cc1c(ccc2c1OC(=Cc3ccc(c(c3)OC)OC)C2=O)OC
InChi [?]:
InChI=1/C19H18O5/c1-11-14(21-2)8-6-13-18(20)17(24-19(11)13)10-12-5-7-15(22-3)16(9-12)23-4/h5-10H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,24,20,18,12,5,13,4,16,10,2,11,6,3,14,15,9,21,7,22,23,19,17,8/rA:24nCCCCCCCOCCCCCCCCOCOCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;w9;s10;s11;d12;s13;d14;d11s15;s15;s17;s14;s19;s6s9;d21;s3;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18O5 |
All Atoms: | 42 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.63306 |
Area: | 523.34 |
Solvation: | -6.45043 |
Coulombic: | -38.8206 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 326.343 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.33 |
LogP (Chemaxon): | 3.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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