Chemical ID: 4151844

Cc1cc(=O)oc2c1ccc(c2C(=O)C)OC(=O)c3ccco3
Chemical ID:
4151844
Name [?]:
(8-acetyl-4-methyl-2-oxo-chromen-7-yl) furan-2-carboxylate
SMILES [?]:
Cc1cc(=O)oc2c1ccc(c2C(=O)C)OC(=O)c3ccco3
InChi [?]:
InChI=1/C17H12O6/c1-9-8-14(19)23-16-11(9)5-6-12(15(16)10(2)18)22-17(20)13-4-3-7-21-13/h3-8H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,21,20,9,10,22,3,2,13,8,11,19,4,12,7,17,14,5,18,23,16,6/rA:23nCCCCOOCCCCCCCOCOCOCCCCO/rB:s1;d2;s3;d4;s4;s6;s2s7;d8;s9;d10;d7s11;s12;d13;s13;s11;s16;d17;s17;d19;s20;d21;s19s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12O6
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:7.36977
Area:489.109
Solvation:-4.85796
Coulombic:-52.428
Bond Count [?]
All:25
Single:16
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:312.274
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.17
LogP (Chemaxon):2.07

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Descriptor Annotations

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