1-Acetylazepane-3-carboxylic acid
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Basic information
- CAS
1268521-27-2- Standard SMILES
CC(=O)N1CCCCC(C(=O)O)C1- InChIKey
KTTTVGFGQQNEBZ-UHFFFAOYSA-N- Molecular formula
- C9H15NO3
- Average molar mass
- 185.22 g/mol
- Monoisotopic mass
- 185.10519334
Names & identifiers
- Preferred name
- 1-Acetylazepane-3-carboxylic acid
- IUPAC
- 1-acetylazepane-3-carboxylic acid
- English name
- 1-acetylazepane-3-carboxylic acid
- Molecular formula
- C9H15NO3
- Molecular weight
- 185.22
Names & synonyms
1-acetylazepane-3-carboxylic acid1268521-27-21268521-27-2 1-acetylazepane-3-carboxylic acidAKOS006320676DB-062536EN300-245054931-acetylhexahydro-1H-Azepine-3-carboxylic acid1H-Azepine-3-carboxylic acid, 1-acetylhexahydro-
Database identifiers
- CAS
1268521-27-2- PubChem CID
- 53302284
Properties
Computed structural propertiesFilling in
- XLogP
- 0.1
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Boiling point
- 383.9 · 383.9±35.0 °C(Predicted)
- Density
- 1.166 · 1.166±0.06 g/cm3(Predicted)
- pka
- 4.25 · 4.25±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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