Ethyl 2-isocyanopropanoate - CAS 33140-27-1
Catalog: |
BB065665 |
Product Name: |
Ethyl 2-isocyanopropanoate |
CAS: |
33140-27-1 |
Synonyms: |
Ethyl 2-isocyanopropanoate; ethyl 2-isocyanopropionate; Ethyl2-isocyanopropanoate; ethyl alpha-isocyanopropionate; 2-Isocyanopropanoic acid ethyl ester |
IUPAC Name: | ethyl 2-isocyanopropanoate |
Description: | Ethyl 2-isocyanopropanoate |
Molecular Weight: | 127.14 |
Molecular Formula: | C6H9NO2 |
Canonical SMILES: | CCOC(=O)C(C)[N+]#[C-] |
InChI: | InChI=1S/C6H9NO2/c1-4-9-6(8)5(2)7-3/h5H,4H2,1-2H3 |
InChI Key: | AQUISJFHBNLTCK-UHFFFAOYSA-N |
Complexity: | 144 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 127.06332853 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 127.06332853 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 30.7Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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