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Chemical ID: 4151844
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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