1-(Methylsulfonyl)-3-azetidinecarboxylic Acid - CAS 1219828-27-9
Catalog: |
BB005316 |
Product Name: |
1-(Methylsulfonyl)-3-azetidinecarboxylic Acid |
CAS: |
1219828-27-9 |
Synonyms: |
1-methylsulfonyl-3-azetidinecarboxylic acid; 1-methylsulfonylazetidine-3-carboxylic acid |
IUPAC Name: | 1-methylsulfonylazetidine-3-carboxylic acid |
Description: | 1-(Methylsulfonyl)-3-azetidinecarboxylic Acid (CAS# 1219828-27-9) is a useful research chemical. |
Molecular Weight: | 179.19 |
Molecular Formula: | C5H9NO4S |
Canonical SMILES: | CS(=O)(=O)N1CC(C1)C(=O)O |
InChI: | InChI=1S/C5H9NO4S/c1-11(9,10)6-2-4(3-6)5(7)8/h4H,2-3H2,1H3,(H,7,8) |
InChI Key: | HBOQFIHAKZBLJA-UHFFFAOYSA-N |
Storage: | Inert atmosphere, Room Temperature |
LogP: | -0.01890 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CA-2880232-A1 | Pyrazole carboxamide compounds, compositions and methods of use | 20120810 |
CN-104781238-A | Pyrazole carboxamide compounds, compositions and methods of use | 20120810 |
EP-2882718-A1 | Pyrazole carboxamide compounds, compositions and methods of use | 20120810 |
JP-2015528435-A | Pyrazole carboxamide compounds, compositions and methods of use | 20120810 |
KR-20150041651-A | Pyrazole carboxamide compounds, compositions and methods of use | 20120810 |
Complexity: | 259 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.02522894 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.02522894 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 83.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.2 |
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