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Chemical ID: 6891471
Chemical ID:
6891471
Name [?]:
[2-(2-furyl)-4-oxo-chromen-3-yl] 2,2-dimethylpropanoate
SMILES [?]:
CC(C)(C)C(=O)Oc1c(=O)c2ccccc2oc1c3ccco3
InChi [?]:
InChI=1/C18H16O5/c1-18(2,3)17(20)23-16-14(19)11-7-4-5-8-12(11)22-15(16)13-9-6-10-21-13/h4-10H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,13,14,21,12,15,20,22,11,16,19,9,18,8,5,2,10,6,23,17,7/E:(1,2,3)/rA:23nCCCCCOOCCOCCCCCCOCCCCCO/rB:s1;s2;s2;s2;d5;s5;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;d8s17;s18;d19;s20;d21;s19s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16O5 |
All Atoms: | 39 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.86094 |
Area: | 477.0 |
Solvation: | -3.06406 |
Coulombic: | -44.5408 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 312.317 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.19 |
LogP (Chemaxon): | 3.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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