2H-Pyran-2-one, 4-ethynyl-6-methyl-
Completing data — refresh the page later to see the latest
Basic information
- CAS
502624-27-3- Standard SMILES
C#Cc1cc(C)oc(=O)c1- InChIKey
YOYXVALSFJOPNG-UHFFFAOYSA-N- Molecular formula
- C8H6O2
- Average molar mass
- 134.13 g/mol
- Monoisotopic mass
- 134.03677943
Names & identifiers
- Preferred name
- 2H-Pyran-2-one, 4-ethynyl-6-methyl-
- IUPAC
- 4-ethynyl-6-methylpyran-2-one
- English name
- 2H-Pyran-2-one, 4-ethynyl-6-methyl- (9CI)
- Molecular formula
- C8H6O2
- Molecular weight
- 134.13
Names & synonyms
502624-27-32H-Pyran-2-one, 4-ethynyl-6-methyl-(9CI)DTXSID404370982H-Pyran-2-one, 4-ethynyl-6-methyl-RefChem:268876DTXCID803879222H-Pyran-2-one, 4-ethynyl-6-methyl- (9CI)4-Ethynyl-6-methyl-2H-pyran-2-one4-ethynyl-6-methyl-2-pyroneCHEMBL115980SCHEMBL26387044DB-281884
Database identifiers
- CAS
502624-27-3- PubChem CID
- 10240850
- DTXSID
DTXSID40437098- ChEMBL
CHEMBL115980- Nikkaji
- J1.827.908H
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 273
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…