| CAS Number | 1420800-16-3 |
| Catalog Number | AG003AQL(AGN-PC-0JJ4DO) |
| Chemical Name | 3-Oxetanecarbonitrile |
| IUPAC Name | oxetane-3-carbonitrile |
| InChI | InChI=1S/C4H5NO/c5-1-4-2-6-3-4/h4H,2-3H2 |
| InChI Key | PXDVPPINZKNVNF-UHFFFAOYSA-N |
| MDL Number | MFCD21848216 |
| Molecular Formula | C4H5NO |
| Molecular Weight | 83.0886 |
| SMILES | O1CC(C1)C#N |
| Synonyms | OXETANE-3-CARBONITRILE,
1420800-16-3,
3-Oxetanecarbonitrile,
DTXSID40856583,
MFCD21848216,
ZINC82411902,
AKOS022719774,
SB21831,
DA-10435,
CS-0043332,
FT-0702906,
K-4557,
|
| Complexity | 87 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 83.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 6 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 83.09g/mol |
| Monoisotopic Mass | 83.037g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
6.1
|
|
Hazard statements
|
H301-H311-H331
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
|
|
UN Code
|
UN 3276
|
Certificate of Analysis
Lot Number