7-oxabicyclo(2.2.1)heptane-2-carboxylic acid, 3-carbamoyl-, ammonia salt
Basic information
- CAS
73806-03-8- Standard SMILES
NC(=O)C1C2CCC(O2)C1C(=O)[O-].[NH4+]- InChIKey
UOMQSKJZSHISKJ-UHFFFAOYSA-N- Molecular formula
- C8H14N2O4
- Average molar mass
- 202.21 g/mol
- Monoisotopic mass
- 202.09535693
Names & identifiers
- Preferred name
- 7-oxabicyclo(2.2.1)heptane-2-carboxylic acid, 3-carbamoyl-, ammonia salt
- IUPAC
- azanium 3-carbamoyl-7-oxabicyclo[2.2.1]heptane-2-carboxylate
Names & synonyms
Ammonium 3,6-endoxohexahydrophthalamate3-Carbamoyl-7-oxabicyclo(2.2.1)heptane-2-carboxylic acid ammonia salt7-Oxabicyclo(2.2.1)heptane-2-carboxylic acid, 3-carbamoyl-, ammonia salt73806-03-8RefChem:311227
Database identifiers
- CAS
73806-03-8- PubChem CID
- 3056554
Properties
Computed structural properties
- Topological polar surface area
- 93.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 259
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