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Isopropyl cyanoacetate · CAS 13361-30-3 · C6H9NO2. UNII 0V3MGI9XMA.
| CAS Registry Number | 13361-30-3 |
|---|---|
| PubChem CID | 25917 |
| Molecular formula | C6H9NO2 |
| IUPAC name | propan-2-yl 2-cyanoacetate |
| UNII (FDA) | 0V3MGI9XMA |
| Molecular Weight | 127.14 |
|---|---|
| XLogP3 | 0.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 127.063328530 |
| Monoisotopic Mass | 127.063328530 |
| Topological Polar Surface Area | 50.1 |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Reported hazard statements | H315 (100%), H319 (100%), H335 (83.3%) |
|---|
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
isopropyl 2-cyanoacetate; Isopropyl cyanoacetate; Cyanoacetic Acid Isopropyl Ester; ACETIC ACID, CYANO-, ISOPROPYL ESTER; 0V3MGI9XMA; Acetic acid, cyano-, 1-methylethyl ester; NSC 1071; EINECS 236-421-3; BRN 1756014; NSC-1071; DTXSID20158198; ACETIC ACID, 2-CYANO-, 1-METHYLETHYL ESTER; RefChem:792167; DTXCID3080689; 236-421-3; 13361-30-3
CAS 13361-30-3; molecular formula C6H9NO2; molecular weight — g/mol.
isopropyl 2-cyanoacetate, Isopropyl cyanoacetate, Cyanoacetic Acid Isopropyl Ester, ACETIC ACID, CYANO-, ISOPROPYL ESTER, 0V3MGI9XMA, Acetic acid, cyano-, 1-methylethyl ester.
Hazard statements reported: H315, H319, H335.
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.