3-Amino-2,1-benzoxazol-1(3H)-ol
Basic information
- CAS
639030-21-0- Standard SMILES
NC1ON(O)c2ccccc21- InChIKey
QWYSXVWXXZVXRQ-UHFFFAOYSA-N- Molecular formula
- C7H8N2O2
- Average molar mass
- 152.15 g/mol
- Monoisotopic mass
- 152.0585775
Names & identifiers
- Preferred name
- 3-Amino-2,1-benzoxazol-1(3H)-ol
- IUPAC
- 1-hydroxy-3H-2,1-benzoxazol-3-amine
- English name
- 2,1-Benzisoxazol-3-amine, 1,3-dihydro-1-hydroxy- (9CI)
- Molecular formula
- C7H8N2O2
- Molecular weight
- 152.15
Names & synonyms
639030-21-03-Amino-2,1-benzoxazol-1(3H)-olDTXSID606996512,1-Benzisoxazol-3-amine, 1,3-dihydro-1-hydroxy-2,1-Benzisoxazol-3-amine, 1,3-dihydro-1-hydroxy- (9CI)
Database identifiers
- CAS
639030-21-0- PubChem CID
- 53427822
- DTXSID
DTXSID60699651
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 153
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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