2-Amino-2-(benzo[d]isoxazol-3-yl)acetic acid
Basic information
- CAS
57148-97-7- Standard SMILES
NC(C(=O)O)c1noc2ccccc12- InChIKey
ILPKIGUUDSQHAG-UHFFFAOYSA-N- Molecular formula
- C9H8N2O3
- Average molar mass
- 192.17 g/mol
- Monoisotopic mass
- 192.05349212
Names & identifiers
- Preferred name
- 2-Amino-2-(benzo[d]isoxazol-3-yl)acetic acid
- IUPAC
- 2-amino-2-(1,2-benzoxazol-3-yl)acetic acid
Names & synonyms
2-amino-2-(benzo[d]isoxazol-3-yl)acetic acid57148-97-7starbld0033952SCHEMBL5294295DTXSID101278847AKOS022915654Amino(1,2-benzoxazol-3-yl)acetic acidDB-134427I+/--Amino-1,2-benzisoxazole-3-acetic acid2-amino-2-(1,2-benzoxazol-3-yl)acetic acidF1967-2388
Database identifiers
- CAS
57148-97-7- PubChem CID
- 22326240
- DTXSID
DTXSID101278847
Properties
Computed structural properties
- XLogP
- -1.9
- Topological polar surface area
- 89.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 234
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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