ZZ1
Summary
Name: | 4-METHYL-2H-CHROMEN-2-ONE |
Synonyms: | 4-METHYLUMBELLIFERYL |
Formula: | C10 H8 O2 |
Formal charge: | 0 |
Formula weight: | 160.169 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 4-methyl-2H-chromen-2-one |
OpenEye OEToolkits | 1.5.0 | 4-methylchromen-2-one |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C2Oc1ccccc1C(=C2)C |
SMILES_CANONICAL | CACTVS | 3.341 | CC1=CC(=O)Oc2ccccc12 |
SMILES | CACTVS | 3.341 | CC1=CC(=O)Oc2ccccc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1=CC(=O)Oc2c1cccc2 |
SMILES | OpenEye OEToolkits | 1.5.0 | CC1=CC(=O)Oc2c1cccc2 |
InChI | InChI | 1.03 | InChI=1S/C10H8O2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h2-6H,1H3 |
InChIKey | InChI | 1.03 | PSGQCCSGKGJLRL-UHFFFAOYSA-N |