Dimethyl trans-(+/-)-pyrrolidine-3,4-dicarboxylate - CAS 102389-88-8
Catalog: |
BB067244 |
Product Name: |
Dimethyl trans-(+/-)-pyrrolidine-3,4-dicarboxylate |
CAS: |
102389-88-8 |
Synonyms: |
(3R,4R)-rel-3,4-Pyrrolidinedicarboxylic Acid Dimethyl Ester; trans-3,4-Pyrrolidinedicarboxylic acid Dimethyl Ester |
IUPAC Name: | dimethyl (3S,4S)-pyrrolidine-3,4-dicarboxylate |
Description: | Dimethyl trans-(+/-)-pyrrolidine-3,4-dicarboxylate |
Molecular Weight: | 187.19 |
Molecular Formula: | C8H13NO4 |
Canonical SMILES: | COC(=O)C1CNCC1C(=O)OC |
InChI: | InChI=1S/C8H13NO4/c1-12-7(10)5-3-9-4-6(5)8(11)13-2/h5-6,9H,3-4H2,1-2H3/t5-,6-/m1/s1 |
InChI Key: | DEONENFBMPLKOR-PHDIDXHHSA-N |
Complexity: | 194 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.0844579 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.0844579 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 64.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.7 |
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