Chemical ID: 7340539

CC(=O)COc1ccc2c(c1)OC(=Cc3cccc(c3)OC)C2=O
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

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Descriptor Annotations

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