(2S)-2-Ethyl Ester-isocyanato-propanoic Acid - CAS 33280-95-4
Catalog: |
BB066226 |
Product Name: |
(2S)-2-Ethyl Ester-isocyanato-propanoic Acid |
CAS: |
33280-95-4 |
Synonyms: |
(S)-Ethyl Ester-2-isocyanato-propanoic Acid |
IUPAC Name: | ethyl (2S)-2-isocyanatopropanoate |
Description: | (2S)-2-Ethyl-ester-isocyanato-propanoic acid is used as a reagent in synthetic chemical processes. |
Molecular Weight: | 143.14 |
Molecular Formula: | C6H9NO3 |
Canonical SMILES: | CCOC(=O)C(C)N=C=O |
InChI: | InChI=1S/C6H9NO3/c1-3-10-6(9)5(2)7-4-8/h5H,3H2,1-2H3/t5-/m0/s1 |
InChI Key: | PFIQRPNWLUAMOF-YFKPBYRVSA-N |
Solubility: | Acetonitrile (Slightly), Chloroform (Sparingly) |
Appearance: | Colourless Oil |
Storage: | 4°C, Inert atmosphere |
References: | Burger, Klaus., et al. Liebigs Annalen der Chemie. 4, 407-413(1994). |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 143.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 143.058243149 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 55.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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