3AV
Summary
Name: | 6-methyl-2H-chromen-2-one |
Formula: | C10 H8 O2 |
Formal charge: | 0 |
Formula weight: | 160.169 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 6-methyl-2H-chromen-2-one |
OpenEye OEToolkits | 1.9.2 | 6-methylchromen-2-one |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C2Oc1ccc(cc1C=C2)C |
InChI | InChI | 1.03 | InChI=1S/C10H8O2/c1-7-2-4-9-8(6-7)3-5-10(11)12-9/h2-6H,1H3 |
InChIKey | InChI | 1.03 | FXFYOPQLGGEACP-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc2OC(=O)C=Cc2c1 |
SMILES | CACTVS | 3.385 | Cc1ccc2OC(=O)C=Cc2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1ccc2c(c1)C=CC(=O)O2 |
SMILES | OpenEye OEToolkits | 1.9.2 | Cc1ccc2c(c1)C=CC(=O)O2 |