Basic information
- CAS
75610-96-7- Standard SMILES
C#Cc1oc(=O)[nH]c1O- InChIKey
XLYPVHLKQVJTMP-UHFFFAOYSA-N- Molecular formula
- C5H3NO3
- Average molar mass
- 125.08 g/mol
- Monoisotopic mass
- 125.01129296
Names & identifiers
- Preferred name
- 5-Ethynyl-4-hydroxy-1,3-oxazol-2(3H)-one
- IUPAC
- 5-ethynyl-4-hydroxy-3H-1,3-oxazol-2-one
- English name
- 2(3H)-Oxazolone, 5-ethynyl-4-hydroxy- (9CI)
- Molecular formula
- C5H3NO3
- Molecular weight
- 125.08
Names & synonyms
75610-96-75-Ethynyl-4-hydroxy-1,3-oxazol-2(3H)-oneDTXSID00663654DB-2806462(3H)-OXAZOLONE, 5-ETHYNYL-4-HYDROXY-2(3H)-Oxazolone, 5-ethynyl-4-hydroxy- (9CI)
Database identifiers
- CAS
75610-96-7- PubChem CID
- 45079110
- DTXSID
DTXSID00663654
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 232
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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