Chemical ID: 4575212

CCC(=O)Oc1ccc2c(c1)OC(=Cc3cccc(c3)OC)C2=O
Chemical ID:
4575212
Name [?]:
[2-[(3-methoxyphenyl)methylene]-3-oxo-benzofuran-6-yl] propanoate
SMILES [?]:
CCC(=O)Oc1ccc2c(c1)OC(=Cc3cccc(c3)OC)C2=O
InChi [?]:
InChI=1/C19H16O5/c1-3-18(20)23-14-7-8-15-16(11-14)24-17(19(15)21)10-12-5-4-6-13(9-12)22-2/h4-11H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,2,17,16,18,7,8,20,14,11,15,19,6,9,10,13,3,23,4,24,21,5,12/rA:24nCCCOOCCCCCCOCCCCCCCCOCCO/rB:s1;s2;d3;s3;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:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.30136
Area:540.446
Solvation:-4.2098
Coulombic:-42.8318
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:3.58
LogP (Chemaxon):3.21

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Descriptor Annotations

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