Chemical ID: 6891471

CC(C)(C)C(=O)Oc1c(=O)c2ccccc2oc1c3ccco3
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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