4-Oxocyclopentane-1,2-dicarboxylic Acid - CAS 1703-61-3
Catalog: |
BB012636 |
Product Name: |
4-Oxocyclopentane-1,2-dicarboxylic Acid |
CAS: |
1703-61-3 |
Synonyms: |
4-oxocyclopentane-1,2-dicarboxylic acid; 4-oxocyclopentane-1,2-dicarboxylic acid |
IUPAC Name: | 4-oxocyclopentane-1,2-dicarboxylic acid |
Description: | 4-Oxocyclopentane-1,2-dicarboxylic Acid (CAS# 1703-61-3) is a useful research chemical. |
Molecular Weight: | 172.14 |
Molecular Formula: | C7H8O5 |
Canonical SMILES: | C1C(C(CC1=O)C(=O)O)C(=O)O |
InChI: | InChI=1S/C7H8O5/c8-3-1-4(6(9)10)5(2-3)7(11)12/h4-5H,1-2H2,(H,9,10)(H,11,12) |
InChI Key: | CJSMOECOKYPHSC-UHFFFAOYSA-N |
Boiling Point: | 466.7 °C at 760 mmHg |
Density: | 1.569 g/cm3 |
LogP: | -0.24910 |
Publication Number | Title | Priority Date |
WO-2019126341-A2 | Compositions and methods for the treatment of bacterial infections | 20171220 |
WO-2019126353-A2 | Compositions and methods for the treatment of bacterial infections | 20171220 |
CA-3049816-A1 | Thienopyrimidine derivative and use thereof in medicine | 20170122 |
EP-3571205-A1 | Thienopyrimidine derivative and use thereof in medicine | 20170122 |
JP-2020505356-A | Thienopyrimidine derivatives and their use in medicine | 20170122 |
Complexity: | 220 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.03717335 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.03717335 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 91.7 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.3 |
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