2-Hydroxy-3'-nitroacetophenone - CAS 72802-41-6
Catalog: |
BB034696 |
Product Name: |
2-Hydroxy-3'-nitroacetophenone |
CAS: |
72802-41-6 |
Synonyms: |
2-hydroxy-1-(3-nitrophenyl)ethanone; 2-hydroxy-1-(3-nitrophenyl)ethanone |
IUPAC Name: | 2-hydroxy-1-(3-nitrophenyl)ethanone |
Description: | 2-Hydroxy-3'-nitroacetophenone (CAS# 72802-41-6) is a useful research chemical. |
Molecular Weight: | 181.15 |
Molecular Formula: | C8H7NO4 |
Canonical SMILES: | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CO |
InChI: | InChI=1S/C8H7NO4/c10-5-8(11)6-2-1-3-7(4-6)9(12)13/h1-4,10H,5H2 |
InChI Key: | DQOFDYBDBHDTPG-UHFFFAOYSA-N |
Boiling Point: | 297 °C at 760 mmHg |
Density: | 1.39 g/cm3 |
MDL: | MFCD04973723 |
LogP: | 1.29300 |
Publication Number | Title | Priority Date |
CN-109320488-B | Water phase one-pot synthesis method of 3-hydroxyflavone and derivatives thereof | 20181130 |
EP-3004110-A1 | Pyrazolopyrrolidine derivatives and their use in the treatment of disease | 20130527 |
EP-3004110-B1 | Pyrazolopyrrolidine derivatives and their use in the treatment of disease | 20130527 |
US-2014349990-A1 | Pyrazolopyrrolidine Derivatives and their Use in the Treatment of Disease | 20130527 |
US-2016095843-A1 | Pyrazolopyrrolidine derivatives and their use in the treatment of disease | 20130527 |
Complexity: | 211 |
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: | 0.8 |
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