A1BFB

2-oxo-4-propyl-2H-1-benzopyran-7-yl acetate

Created:2024-11-04
Last modified:  2024-11-27

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count32
Chiral Atom Count0
Bond Count33
Aromatic Bond Count6
2D diagram of A1BFB

WebGL does not seem to be available.

This can be caused by an outdated browser, graphics card driver issue, or bad weather. Sometimes, just restarting the browser helps. Also, make sure hardware acceleration is enabled in your browser.

For a list of supported browsers, refer to http://caniuse.com/#feat=webgl.

Toggle HydrogenToggle Labels

Chemical Component Summary

Name2-oxo-4-propyl-2H-1-benzopyran-7-yl acetate
Systematic Name (OpenEye OEToolkits)(2-oxidanylidene-4-propyl-chromen-7-yl) ethanoate
FormulaC14 H14 O4
Molecular Weight246.259
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52CC(=O)Oc1ccc2c(c1)OC(=O)C=C2CCC
SMILESCACTVS3.385CCCC1=CC(=O)Oc2cc(OC(C)=O)ccc12
SMILESOpenEye OEToolkits3.1.0.0CCCC1=CC(=O)Oc2c1ccc(c2)OC(=O)C
Canonical SMILESCACTVS3.385 CCCC1=CC(=O)Oc2cc(OC(C)=O)ccc12
Canonical SMILESOpenEye OEToolkits3.1.0.0 CCCC1=CC(=O)Oc2c1ccc(c2)OC(=O)C
InChIInChI1.06 InChI=1S/C14H14O4/c1-3-4-10-7-14(16)18-13-8-11(17-9(2)15)5-6-12(10)13/h5-8H,3-4H2,1-2H3
InChIKeyInChI1.06 LYHONYWOPDLTBH-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 763609