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Chemical ID: 6148040
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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