Methyl (2S)-2,4-Dimethyl-4-nitro-pentanoate - CAS 1897388-80-5
Catalog: |
BB058903 |
Product Name: |
Methyl (2S)-2,4-Dimethyl-4-nitro-pentanoate |
CAS: |
1897388-80-5 |
Synonyms: |
Methyl (S)-2,4-Dimethyl-4-nitropentanoate |
IUPAC Name: | methyl (2S)-2,4-dimethyl-4-nitropentanoate |
Description: | Methyl (2S)-2,4-Dimethyl-4-nitro-pentanoate is an intermediate in the synthesis of (4S)-2,2,4-Trimethylpyrrolidine Hydrochloride (T787390) which is a useful research chemical. |
Molecular Weight: | 189.21 |
Molecular Formula: | C8H15NO4 |
Canonical SMILES: | CC(CC(C)(C)[N+](=O)[O-])C(=O)OC |
InChI: | InChI=1S/C8H15NO4/c1-6(7(10)13-4)5-8(2,3)9(11)12/h6H,5H2,1-4H3/t6-/m0/s1 |
InChI Key: | FIXGUDASGASFSO-LURJTMIESA-N |
Complexity: | 207 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.10010796 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.10010796 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 72.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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