2-Oxooctahydro-1-benzofuran-3-carboxamide
Basic information
- CAS
13134-09-3- Standard SMILES
NC(=O)C1C(=O)OC2CCCCC21- InChIKey
VNELTPNAGLOGGS-UHFFFAOYSA-N- Molecular formula
- C9H13NO3
- Average molar mass
- 183.2 g/mol
- Monoisotopic mass
- 183.08954328
Names & identifiers
- Preferred name
- 2-Oxooctahydro-1-benzofuran-3-carboxamide
- IUPAC
- 2-oxo-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-3-carboxamide
Names & synonyms
13134-09-32-Oxooctahydrobenzofuran-3-carboxamide2-oxooctahydro-1-benzofuran-3-carboxamideNSC1089783-Benzofurancarboxamide,octahydro-2-oxo-DTXSID70296372NSC-108978DS-004751
Database identifiers
- CAS
13134-09-3- PubChem CID
- 268665
- DTXSID
DTXSID70296372
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 251
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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