2-(2-Nitroethyl)-1,3-dioxolane - CAS 82891-99-4
Catalog: |
BB036933 |
Product Name: |
2-(2-Nitroethyl)-1,3-dioxolane |
CAS: |
82891-99-4 |
Synonyms: |
2-(2-nitroethyl)-1,3-dioxolane; 2-(2-nitroethyl)-1,3-dioxolane |
IUPAC Name: | 2-(2-nitroethyl)-1,3-dioxolane |
Description: | 2-(2-Nitroethyl)-1,3-dioxolane (CAS# 82891-99-4) is a useful research chemical. |
Molecular Weight: | 147.13 |
Molecular Formula: | C5H9NO4 |
Canonical SMILES: | C1COC(O1)CC[N+](=O)[O-] |
InChI: | InChI=1S/C5H9NO4/c7-6(8)2-1-5-9-3-4-10-5/h5H,1-4H2 |
InChI Key: | ZYXOSRQIZOOVTN-UHFFFAOYSA-N |
MDL: | MFCD00040621 |
LogP: | 0.54930 |
Publication Number | Title | Priority Date |
US-2021093738-A1 | Radiolabelled mgl pet ligands | 20190930 |
WO-2021064569-A1 | Radiolabelled mgl pet ligands | 20190930 |
US-2020102303-A1 | Monoacylglycerol Lipase Modulators | 20180928 |
CN-113164459-A | Monoacylglycerol lipase modulators | 20180928 |
KR-20210069080-A | monoacylglycerol lipase modulator | 20180928 |
Complexity: | 115 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 147.05315777 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 147.05315777 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 64.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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