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Chemical ID: 7340539
Chemical ID:
7340539
Name [?]:
6-acetonyloxy-2-[(3-methoxyphenyl)methylene]benzofuran-3-one
SMILES [?]:
CC(=O)COc1ccc2c(c1)OC(=Cc3cccc(c3)OC)C2=O
InChi [?]:
InChI=1/C19H16O5/c1-12(20)11-23-15-6-7-16-17(10-15)24-18(19(16)21)9-13-4-3-5-14(8-13)22-2/h3-10H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,17,16,18,7,8,20,14,11,4,2,15,19,6,9,10,13,23,3,24,21,5,12/rA:24nCCOCOCCCCCCOCCCCCCCCOCCO/rB:s1;d2;s2;s4;s5;s6;d7;s8;d9;d6s10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s19;s21;s9s13;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16O5 |
All Atoms: | 40 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.65301 |
Area: | 543.929 |
Solvation: | -6.94522 |
Coulombic: | -37.6165 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 324.327 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.11 |
LogP (Chemaxon): | 2.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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