trans-Ethyl (1R,2R)-2-Cyanocyclopropane-1-carboxylate - CAS 3999-56-2
Catalog: |
BB065797 |
Product Name: |
trans-Ethyl (1R,2R)-2-Cyanocyclopropane-1-carboxylate |
CAS: |
3999-56-2 |
Synonyms: |
(1R,2R)-rel-Ethyl 2-cyanocyclopropanecarboxylate; ethyl (1R,2R)-2-cyanocyclopropane-1-carboxylate; Ethyl trans-2-cyanocyclopropane-1-carboxylate; trans-ethyl (1R,2R)-2-cyanocyclopropane-1-carboxylate |
IUPAC Name: | ethyl (1R,2R)-2-cyanocyclopropane-1-carboxylate |
Molecular Weight: | 139.15 |
Molecular Formula: | C7H9NO2 |
Canonical SMILES: | CCOC(=O)C1CC1C#N |
InChI: | InChI=1S/C7H9NO2/c1-2-10-7(9)6-3-5(6)4-8/h5-6H,2-3H2,1H3/t5-,6+/m0/s1 |
InChI Key: | ABSAAQSCUQHJOC-NTSWFWBYSA-N |
Complexity: | 191 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 139.06332853 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 139.06332853 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 50.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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