trans-4-Hydroxy-β-nitrostyrene - CAS 22568-49-6
Catalog: |
BB017669 |
Product Name: |
trans-4-Hydroxy-β-nitrostyrene |
CAS: |
22568-49-6 |
Synonyms: |
4-[(E)-2-nitroethenyl]phenol |
IUPAC Name: | 4-[(E)-2-nitroethenyl]phenol |
Description: | trans-4-Hydroxy-β-nitrostyrene (CAS# 22568-49-6 ) is a useful research chemical. |
Molecular Weight: | 165.15 |
Molecular Formula: | C8H7NO3 |
Canonical SMILES: | C1=CC(=CC=C1C=C[N+](=O)[O-])O |
InChI: | InChI=1S/C8H7NO3/c10-8-3-1-7(2-4-8)5-6-9(11)12/h1-6,10H/b6-5+ |
InChI Key: | CTJKRKMPTRJAIT-AATRIKPKSA-N |
MDL: | MFCD00060551 |
LogP: | 2.16280 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2017444990-A1 | Nitroalkene non steroidal anti-inflammatory drugs (NA-NSAIDs) and methods of treating inflammation related conditions | 20171227 |
US-10428008-B2 | Nitroalkene non steroidal anti-inflammatory drugs (NA-NSAIDs) and methods of treating inflammation related conditions | 20171227 |
US-2019194121-A1 | Nitroalkene non steroidal anti-inflammatory drugs (na-nsaids) and methods of treating inflammation related conditions | 20171227 |
US-2019359552-A1 | Nitroalkene non steroidal anti-inflammatory drugs (na-nsaids) and methods of treating inflammation related conditions | 20171227 |
WO-2019130046-A1 | Nitroalkene non steroidal anti-inflammatory drugs (na-nsaids) and methods of treating inflammation related conditions | 20171227 |
PMID | Publication Date | Title | Journal |
20850977 | 20101101 | The synthesis and biologic evaluation of anti-platelet and cytotoxic β-nitrostyrenes | Bioorganic & medicinal chemistry |
19709889 | 20090915 | E-Combretastatin and E-resveratrol structural modifications: antimicrobial and cancer cell growth inhibitory beta-E-nitrostyrenes | Bioorganic & medicinal chemistry |
17574419 | 20070815 | Synthesis and biological evaluation of N-acetyl-beta-aryl-1,2-didehydroethylamines as new HIV-1 RT inhibitors in vitro | Bioorganic & medicinal chemistry letters |
Complexity: | 177 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 165.042593085 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 165.042593085 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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