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Chemical ID: 6879724
Chemical ID:
6879724
Name [?]:
[2-(2-furyl)-6-methyl-4-oxo-chromen-3-yl] propanoate
SMILES [?]:
CCC(=O)Oc1c(=O)c2cc(ccc2oc1c3ccco3)C
InChi [?]:
InChI=1/C17H14O5/c1-3-14(18)22-17-15(19)11-9-10(2)6-7-12(11)21-16(17)13-5-4-8-20-13/h4-9H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,2,19,18,12,13,20,10,11,9,14,17,3,7,16,6,4,8,21,15,5/rA:22nCCCOOCCOCCCCCCOCCCCCOC/rB:s1;s2;d3;s3;s5;s6;d7;s7;s9;d10;s11;d12;d9s13;s14;d6s15;s16;d17;s18;d19;s17s20;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14O5 |
All Atoms: | 36 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.58114 |
Area: | 475.006 |
Solvation: | -3.29401 |
Coulombic: | -42.9396 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 298.29 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.13 |
LogP (Chemaxon): | 3.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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