9CG

1H,3H-naphtho[1,8-cd]pyran-1-one

Created:2017-04-19
Last modified:  2017-04-26

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Chemical Details

Formal Charge0
Atom Count22
Chiral Atom Count0
Bond Count24
Aromatic Bond Count11
2D diagram of 9CG

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Chemical Component Summary

Name1H,3H-naphtho[1,8-cd]pyran-1-one
Systematic Name (OpenEye OEToolkits)3-oxatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaen-2-one
FormulaC12 H8 O2
Molecular Weight184.191
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1ccc3C(=O)OCc2c3c1ccc2
SMILESCACTVS3.385O=C1OCc2cccc3cccc1c23
SMILESOpenEye OEToolkits2.0.6c1cc2cccc3c2c(c1)COC3=O
Canonical SMILESCACTVS3.385 O=C1OCc2cccc3cccc1c23
Canonical SMILESOpenEye OEToolkits2.0.6 c1cc2cccc3c2c(c1)COC3=O
InChIInChI1.03 InChI=1S/C12H8O2/c13-12-10-6-2-4-8-3-1-5-9(7-14-12)11(8)10/h1-6H,7H2
InChIKeyInChI1.03 UKOVZLWSUZKTRL-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 223824
ChEMBL CHEMBL1479195