| CAS Number | 170128-14-0 |
| Catalog Number | AG00B9XD(AGN-PC-0WA8U9) |
| Chemical Name | 3-OXETANECARBONITRILE, 3-METHYL- |
| IUPAC Name | 3-methyloxetane-3-carbonitrile |
| InChI | InChI=1S/C5H7NO/c1-5(2-6)3-7-4-5/h3-4H2,1H3 |
| InChI Key | JHLDEOHYZQLQRJ-UHFFFAOYSA-N |
| MDL Number | MFCD09842437 |
| Molecular Formula | C5H7NO |
| Molecular Weight | 97.1152 |
| SMILES | CC1(C#N)COC1 |
| Synonyms | 3-methyloxetane-3-carbonitrile,
170128-14-0,
3-METHYL-3-OXETANECARBONITRILE,
CTK8E4488,
FCH874729,
MFCD09842437,
ZINC83428727,
AKOS006327100,
SB19875,
KS-000007U8,
3-OXETANECARBONITRILE, 3-METHYL-,
AK171702,
TX-016772,
CS-0051245,
1290541-27-3,
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| Complexity | 117 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 97.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 97.117g/mol |
| Monoisotopic Mass | 97.053g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number