Basic information
- CAS
92956-83-7- Standard SMILES
CC#CC(O)(C(=O)OC)c1ccccc1- InChIKey
WZZYNHDSJKOOJS-UHFFFAOYSA-N- Molecular formula
- C12H12O3
- Average molar mass
- 204.22 g/mol
- Monoisotopic mass
- 204.07864424
Names & identifiers
- Preferred name
- Methyl 2-hydroxy-2-phenylpent-3-ynoate
- IUPAC
- methyl 2-hydroxy-2-phenylpent-3-ynoate
Names & synonyms
92956-83-7methyl 2-hydroxy-2-phenylpent-3-ynoateNSC116010SCHEMBL11107887DTXSID70297440WZZYNHDSJKOOJS-UHFFFAOYSA-NNSC-116010Methyl alpha-Phenyl-alpha-(1-propynyl)glycolate
Database identifiers
- CAS
92956-83-7- PubChem CID
- 271980
- DTXSID
DTXSID70297440
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 290
Related reactions
2 records
Compound notes
Loading…