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Chemical ID: 7340930
Chemical ID:
7340930
Name [?]:
[2-[(4-methoxyphenyl)methylene]-7-methyl-3-oxo-benzofuran-6-yl] acetate
SMILES [?]:
Cc1c(ccc2c1OC(=Cc3ccc(cc3)OC)C2=O)OC(=O)C
InChi [?]:
InChI=1/C19H16O5/c1-11-16(23-12(2)20)9-8-15-18(21)17(24-19(11)15)10-13-4-6-14(22-3)7-5-13/h4-10H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,24,18,12,16,13,15,5,4,10,2,22,11,14,6,3,9,19,7,23,20,17,21,8/E:(4,5)(6,7)/rA:24nCCCCCCCOCCCCCCCCOCCOOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;w9;s10;s11;d12;s13;d14;d11s15;s14;s17;s6s9;d19;s3;s21;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16O5 |
All Atoms: | 40 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.96038 |
Area: | 524.742 |
Solvation: | -4.15818 |
Coulombic: | -42.3242 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 324.327 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.56 |
LogP (Chemaxon): | 3.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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