Basic information
- CAS
70978-22-2- Standard SMILES
CCCc1cc(N)c(O)c(C(C)=O)c1- InChIKey
GKQYPIFGNAEJML-UHFFFAOYSA-N- Molecular formula
- C11H15NO2
- Average molar mass
- 193.24 g/mol
- Monoisotopic mass
- 193.11027872
Names & identifiers
- Preferred name
- CID 13596238
- IUPAC
- 1-(3-amino-2-hydroxy-5-propylphenyl)ethanone
Names & synonyms
70978-22-2SCHEMBL11068861DTXSID7012595721-(3-amino-2-hydroxy-5-propylphenyl)ethanone1-(3-Amino-2-hydroxy-5-propylphenyl)ethan-1-one
Database identifiers
- CAS
70978-22-2- PubChem CID
- 13596238
- DTXSID
DTXSID701259572
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 205
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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