Basic information
- CAS
949115-78-0- Standard SMILES
C#Cc1cccc(CCNC(C)=O)c1- InChIKey
PBSSKLCSACBAAV-UHFFFAOYSA-N- Molecular formula
- C12H13NO
- Average molar mass
- 187.24 g/mol
Names & identifiers
- Preferred name
- N-[2-(3-ethynylphenyl)ethyl]acetamide
- IUPAC
- N-[2-(3-ethynylphenyl)ethyl]acetamide
- English name
- Acetamide, N-[2-(3-ethynylphenyl)ethyl]-
- Molecular formula
- C12H13NO
- Molecular weight
- 0
Names & synonyms
949115-78-0N-[2-(3-ethynylphenyl)ethyl]acetamideAcetamide, N-[2-(3-ethynylphenyl)ethyl]-
Database identifiers
- CAS
949115-78-0
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 238
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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