Chemical ID: 6879724

CCC(=O)Oc1c(=O)c2cc(ccc2oc1c3ccco3)C
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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