Basic information
- CAS
89210-28-6- Standard SMILES
Cc1cc([N+](=O)[O-])cc(C)c1CO- InChIKey
JSJPDTNBJIBDGC-UHFFFAOYSA-N- Molecular formula
- C9H11NO3
- Average molar mass
- 181.19 g/mol
- Monoisotopic mass
- 181.07389321
Names & identifiers
- Preferred name
- (2,6-Dimethyl-4-nitrophenyl)methanol
- IUPAC
- (2,6-dimethyl-4-nitrophenyl)methanol
Names & synonyms
89210-28-6(2,6-Dimethyl-4-nitrophenyl)methanolSCHEMBL27319464DTXSID10752381
Database identifiers
- CAS
89210-28-6- PubChem CID
- 71322730
- DTXSID
DTXSID10752381
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 178
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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