2-Methyl-1-nitro-2-propanol

HCID 95101

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 5447-98-3
Standard SMILES: CC(C)(O)C[N+](=O)[O-]
InChIKey: FOOMQHQMUGNBKK-UHFFFAOYSA-N
Molecular formula: C4H9NO3
Average molar mass: 119.12 g/mol
Monoisotopic mass: 119.05824315

Names & identifiers

Preferred name: 2-Methyl-1-nitro-2-propanol
IUPAC: 2-methyl-1-nitropropan-2-ol

Names & synonyms

2-Methyl-1-nitro-2-propanol5447-98-32-Propanol, 2-methyl-1-nitro-8LHB74BE5Q2-Nitro-tertiary butanolNSC-17680DTXSID70202877RefChem:87999DTXCID00125368FOOMQHQMUGNBKK-UHFFFAOYSA-N2-methyl-1-nitropropan-2-ol2-Methyl-l-nitropropan-2-ol

Show more names

1-Nitro-2-methyl-2-propanolNSC17680MFCD00182534NSC 17680AI3-24934UNII-8LHB74BE5QSCHEMBL20205752-methyl-1-nitro-propan-2-ol

Database identifiers

CAS: 5447-98-3
PubChem CID: 95101
DTXSID: DTXSID70202877
UNII: 8LHB74BE5Q
Nikkaji: J543.220K

Properties

Computed structural properties

XLogP: 0
Topological polar surface area: 66.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 8
Formal charge: 0
Complexity: 93.9

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…