5-Oxopyrrolidine-3-carboxylic Acid - CAS 7268-43-1
Catalog: |
BB034670 |
Product Name: |
5-Oxopyrrolidine-3-carboxylic Acid |
CAS: |
7268-43-1 |
Synonyms: |
5-oxo-3-pyrrolidinecarboxylic acid; 5-oxopyrrolidine-3-carboxylic acid |
IUPAC Name: | 5-oxopyrrolidine-3-carboxylic acid |
Description: | 5-Oxopyrrolidine-3-carboxylic Acid (CAS# 7268-43-1) is a useful research chemical. |
Molecular Weight: | 129.11 |
Molecular Formula: | C5H7NO3 |
Canonical SMILES: | C1C(CNC1=O)C(=O)O |
InChI: | InChI=1S/C5H7NO3/c7-4-1-3(2-6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9) |
InChI Key: | GZVHQYZRBCSHAI-UHFFFAOYSA-N |
Boiling Point: | 453.134 °C at 760 mmHg |
Density: | 1.381 g/cm3 |
Appearance: | Solid |
MDL: | MFCD05864580 |
LogP: | -0.46410 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
21580760 | 20100327 | Ethyl 1-benzyl-4-hydr-oxy-2-methyl-5-oxopyrrolidine-3-carboxyl-ate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 154 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 129.042593085 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 129.042593085 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66.4 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.2 |
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