Methyl 2-Cyano-2-oximinoacetate - CAS 61295-92-9
Catalog: |
BB075926 |
Product Name: |
Methyl 2-Cyano-2-oximinoacetate |
CAS: |
61295-92-9 |
Synonyms: |
2-Cyano-2-(hydroxyimino)-acetic Acid Methyl Ester; Cyano(hydroxyimino)-acetic Acid Methyl Ester; NSC 158573 |
IUPAC Name: | methyl (2E)-2-cyano-2-hydroxyiminoacetate |
Description: | Methyl 2-Cyano-2-oximinoacetate is an intermediate in synthesizing 2-Cyano-2-(methoxyimino)acetic Acid (C989423), which is a cyano-oxime derivative used as a fungicide. |
Molecular Weight: | 128.09 |
Molecular Formula: | C4H4N2O3 |
Canonical SMILES: | COC(=O)C(=NO)C#N |
InChI: | InChI=1S/C4H4N2O3/c1-9-4(7)3(2-5)6-8/h8H,1H3/b6-3+ |
InChI Key: | ZTUBRMAHOKWHCL-ZZXKWVIFSA-N |
Solubility: | Acetone, Chloroform, Dichloromethane, DMSO, Methanol |
Appearance: | Light Yellow Solid |
References: | Tellier, F., et al. Pestic Biochem Physiol., 78, 151-160 (2004). |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P272, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P333+P313, P337+P317, P362+P364, P405, and P501 |
Signal Word: | Danger |
Complexity: | 187 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 128.02219199 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 128.02219199 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 82.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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