Chemical ID: 4904379

CCOC(=O)C(C)Oc1ccc2c(c1)OC(=Cc3ccco3)C2=O
Chemical ID:
4904379
Name [?]:
ethyl 2-[2-(2-furylmethylene)-3-oxo-benzofuran-6-yl]oxypropanoate
SMILES [?]:
CCOC(=O)C(C)Oc1ccc2c(c1)OC(=Cc3ccco3)C2=O
InChi [?]:
InChI=1/C18H16O6/c1-3-21-18(20)11(2)23-13-6-7-14-15(10-13)24-16(17(14)19)9-12-5-4-8-22-12/h4-11H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,7,2,20,19,10,11,21,17,14,6,18,9,12,13,16,23,4,24,5,3,22,8,15/rA:24cCCOCOCCOCCCCCCOCCCCCCOCO/rB:s1;s2;s3;d4;s4;s6;s6;s8;s9;d10;s11;d12;d9s13;s13;s15;w16;s17;d18;s19;d20;s18s21;s12s16;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16O6
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:7.95354
Area:547.2
Solvation:-5.72646
Coulombic:-49.4993
Bond Count [?]
All:26
Single:18
Double:8
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:328.316
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.9
LogP (Chemaxon):2.48

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Descriptor Annotations

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