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Glycolonitrile
CAS: 107-16-4 | C2H3NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
107-16-4
Molecular Formula:
C2H3NO
Molecular Mass:
57.05 g/mol
Names and Synonyms:
Glycolonitrile
Acetonitrile, 2-hydroxy-
Glycolonitrile
Acetonitrile, hydroxy-
2-Hydroxyacetonitrile
Glycolic nitrile
Glyconitrile
Formaldehyde, cyanohydrin
Hydroxyacetonitrile
Cyanomethanol
Hydroxymethylnitrile
Hydroxymethyl cyanide
Cyanomethyl alcohol
NSC 1790
Formalcyanohydrin
Identifiers:
SMILES:
N#CCO
InChI:
InChI=1S/C2H3NO/c3-1-2-4/h4H,2H2
Key Properties
Boiling Point
183 °C
CAS Common Chemistry
Melting Point
<-72 °C
CAS Common Chemistry
Density
1.10 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 57.05 g/mol | CAS Common Chemistry |
| 57.052 g/mol | RDKit | |
| 57.021463716 g/mol | RDKit | |
| Density | 1.10 g/cm³ | CAS Common Chemistry |
| 1.10 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Glycolonitrile | CAS Common Chemistry |
| Boiling Point | 183 °C | CAS Common Chemistry |
| Canonical SMILES | N#CCO | CAS Common Chemistry |
| InChI | InChI=1S/C2H3NO/c3-1-2-4/h4H,2H2 | CAS Common Chemistry |
| InChI Key | InChIKey=LTYRAPJYLUPLCI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | <-72 °C | CAS Common Chemistry |
| Name | Hydroxyacetonitrile | CAS Common Chemistry |
| Glycolonitrile | CAS Common Chemistry | |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 44.019999999999996 Ų | RDKit |
| LogP | -0.49772 | RDKit |
| Molar Refractivity | 12.6988 | RDKit |
