1-(2-Furyl)-2-nitroethanol - CAS 52239-33-5
Catalog: |
BB027754 |
Product Name: |
1-(2-Furyl)-2-nitroethanol |
CAS: |
52239-33-5 |
Synonyms: |
1-(2-furanyl)-2-nitroethanol; 1-(furan-2-yl)-2-nitroethanol |
IUPAC Name: | 1-(furan-2-yl)-2-nitroethanol |
Description: | 1-(2-Furyl)-2-nitroethanol (CAS# 52239-33-5 ) is a useful research chemical. |
Molecular Weight: | 157.12 |
Molecular Formula: | C6H7NO4 |
Canonical SMILES: | C1=COC(=C1)C(C[N+](=O)[O-])O |
InChI: | InChI=1S/C6H7NO4/c8-5(4-7(9)10)6-2-1-3-11-6/h1-3,5,8H,4H2 |
InChI Key: | KWOKMZBSAZNOBW-UHFFFAOYSA-N |
Boiling Point: | 128 °C |
LogP: | 1.11290 |
Publication Number | Title | Priority Date |
AT-500910-A1 | Method for producing beta hydroxynitro compounds | 20040130 |
AT-500910-B1 | Method for producing beta hydroxynitro compounds | 20040130 |
WO-2005073389-A1 | METHOD FOR PRODUCING β-HYDROXY NITRO COMPOUNDS MADE FROM ALDEHYDES AND NITROALKANES WHILE USING A HYDROXY NITRILE LYASE | 20040130 |
EP-0808920-A1 | Process for the electrochemical reduction of organic compounds | 19960523 |
EP-0808920-B1 | Process for the electrochemical reduction of organic compounds | 19960523 |
Complexity: | 144 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 157.0375077 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 157.0375077 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 79.2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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