≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C(C[N+](=O)[O-])CO |
|---|---|
| IUPAC Name | 3-nitropropan-1-ol |
| InChIKey | YISPKQZWSIMXMX-UHFFFAOYSA-N |
| INCHI | 1S/C3H7NO3/c5-3-1-2-4(6)7/h5H,1-3H2 |
| Isomeric SMILES | C(C[N+](=O)[O-])CO |
| Molecular Weight | 105.09 |
| Reaxy-Rn | 1746958 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1746958&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic 1,3-dipolar compounds |
| Class | Allyl-type 1,3-dipolar organic compounds |
| Subclass | Organic nitro compounds |
| Intermediate Tree Nodes | Not available |
| Direct Parent | C-nitro compounds |
| Alternative Parents | Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Alkanolamines Primary alcohols Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Alkanolamine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as c-nitro compounds. These are compounds having the nitro group, -NO2 (free valence on nitrogen), which is attached to carbon. |
| External Descriptors | C-nitro compound |
| x_boil_point_char | 138 - 140 °C (43 hPa) |
|---|---|
| Molecular Weight | 105.090 g/mol |
| XLogP3 | -0.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 105.043 Da |
| Monoisotopic Mass | 105.043 Da |
| Topological Polar Surface Area | 66.100 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 57.700 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
H1823042