Chemical ID: 6148040

COC(=O)COc1c(=O)c2ccccc2oc1c3ccco3
Chemical ID:
6148040
Name [?]:
methyl 2-[2-(2-furyl)-4-oxo-chromen-3-yl]oxyacetate
SMILES [?]:
COC(=O)COc1c(=O)c2ccccc2oc1c3ccco3
InChi [?]:
InChI=1/C16H12O6/c1-19-13(17)9-21-16-14(18)10-5-2-3-6-11(10)22-15(16)12-7-4-8-20-12/h2-8H,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,12,13,20,11,14,19,21,5,10,15,18,3,8,17,7,4,9,2,22,6,16/rA:22nCOCOCOCCOCCCCCCOCCCCCO/rB:s1;s2;d3;s3;s5;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;d7s16;s17;d18;s19;d20;s18s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12O6
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:6.6456
Area:476.142
Solvation:-5.25795
Coulombic:-51.2785
Bond Count [?]
All:24
Single:16
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:300.263
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.28
LogP (Chemaxon):1.89

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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