Methyl (1S,2R,3R,4R,6S)-5-Oxotricyclo[2.2.1.02,6]heptane-3-carboxylate - CAS 176019-19-5
Catalog: |
BB013189 |
Product Name: |
Methyl (1S,2R,3R,4R,6S)-5-Oxotricyclo[2.2.1.02,6]heptane-3-carboxylate |
CAS: |
176019-19-5 |
Synonyms: |
(1S,2R,3R,4R,6S)-5-oxo-3-tricyclo[2.2.1.0^{2,6}]heptanecarboxylic acid methyl ester; methyl (1S,2R,3R,4R,6S)-5-oxotricyclo[2.2.1.0^{2,6}]heptane-3-carboxylate |
IUPAC Name: | methyl 5-oxotricyclo[2.2.1.02,6]heptane-3-carboxylate |
Description: | Methyl (1S,2R,3R,4R,6S)-5-Oxotricyclo[2.2.1.02,6]heptane-3-carboxylate (CAS# 176019-19-5 ) is a useful research chemical. |
Molecular Weight: | 166.17 |
Molecular Formula: | C9H10O3 |
Canonical SMILES: | COC(=O)C1C2CC3C1C3C2=O |
InChI: | InChI=1S/C9H10O3/c1-12-9(11)7-4-2-3-5(7)6(3)8(4)10/h3-7H,2H2,1H3/t3-,4+,5+,6-,7-/m0/s1 |
InChI Key: | JSISJOWGBCKCEN-XUVCUMPTSA-N |
Publication Number | Title | Priority Date |
DE-4435242-A1 | Process for the enzymatic separation of enantiomers of rac-2-oxotricyclo 2,2,1,0 · 3 ·, · 5 · -heptan-7-carboxylic acid or the -carboxylic acid ester | 19941004 |
EP-0709464-B1 | Process for the enzymatic separation of enantiomers of racemic 2-oxotricyclo-2,2,1,03,5-heptan-7-carboxylic acids and esters thereof | 19941004 |
Complexity: | 284 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.062994177 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 43.4 |
Undefined Atom Stereocenter Count: | 5 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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