2-Hydroxy-4'-nitroacetophenone - CAS 64611-67-2
Catalog: |
BB032516 |
Product Name: |
2-Hydroxy-4'-nitroacetophenone |
CAS: |
64611-67-2 |
Synonyms: |
2-hydroxy-1-(4-nitrophenyl)ethanone; 2-hydroxy-1-(4-nitrophenyl)ethanone |
IUPAC Name: | 2-hydroxy-1-(4-nitrophenyl)ethanone |
Description: | 2-Hydroxy-4'-nitroacetophenone (CAS# 64611-67-2) is a useful research chemical. |
Molecular Weight: | 181.15 |
Molecular Formula: | C8H7NO4 |
Canonical SMILES: | C1=CC(=CC=C1C(=O)CO)[N+](=O)[O-] |
InChI: | InChI=1S/C8H7NO4/c10-5-8(11)6-1-3-7(4-2-6)9(12)13/h1-4,10H,5H2 |
InChI Key: | DRGHCHSDUDQWHJ-UHFFFAOYSA-N |
Boiling Point: | 338.4 ℃ at 760 mmHg |
Density: | 1.39 g/cm3 |
MDL: | MFCD00599385 |
LogP: | 1.29300 |
Publication Number | Title | Priority Date |
CN-102206683-A | Synthesis method of optically active aryl vicinal diol under catalysis of whole yeast cells | 20110331 |
CN-102102111-A | Method for synthesizing optically-active aryl vicinal diol under catalysis of plant cells | 20101209 |
CN-102102111-B | Method for synthesizing optically-active aryl vicinal diol under catalysis of plant cells | 20101209 |
AU-2011214506-A1 | Substituted pyrrolidine-2-carboxamides | 20100209 |
AU-2011214506-B2 | Substituted pyrrolidine-2-carboxamides | 20100209 |
Complexity: | 203 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 181.0375077 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 181.0375077 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 83.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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