Basic information
- CAS
37559-18-5- Standard SMILES
CC(=O)OCC#Cc1ccccc1- InChIKey
COAMNQXIYTUGMM-UHFFFAOYSA-N- Molecular formula
- C11H10O2
- Average molar mass
- 174.2 g/mol
- Monoisotopic mass
- 174.06807956
Names & identifiers
- Preferred name
- 3-Phenylprop-2-ynyl acetate
- IUPAC
- 3-phenylprop-2-ynyl acetate
Names & synonyms
3-phenylprop-2-ynyl acetate37559-18-5DTXSID70315971RefChem:281835DTXCID402670943-phenylprop-2-yn-1-yl acetateNSC298317SCHEMBL27545848NSC-298317
Database identifiers
- CAS
37559-18-5- PubChem CID
- 326641
- DTXSID
DTXSID70315971- Nikkaji
- J1.123.815G
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 225
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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