4-(4-Nitrophenyl)butyric acid - CAS 5600-62-4
Catalog: |
BB029234 |
Product Name: |
4-(4-Nitrophenyl)butyric acid |
CAS: |
5600-62-4 |
Synonyms: |
4-(4-nitrophenyl)butanoic acid |
IUPAC Name: | 4-(4-nitrophenyl)butanoic acid |
Description: | 4-(4-Nitrophenyl)butyric acid (CAS# 5600-62-4) is a useful research chemical. |
Molecular Weight: | 209.20 |
Molecular Formula: | C10H11NO4 |
Canonical SMILES: | C1=CC(=CC=C1CCCC(=O)O)[N+](=O)[O-] |
InChI: | InChI=1S/C10H11NO4/c12-10(13)3-1-2-8-4-6-9(7-5-8)11(14)15/h4-7H,1-3H2,(H,12,13) |
InChI Key: | WQMLUHZFRFCQDB-UHFFFAOYSA-N |
Boiling Point: | 393.8 °C at 760 mmHg |
Melting Point: | 90-93 °C |
Purity: | 95 % |
Density: | 1.293 g/cm3 |
Appearance: | White to yellow powder or crystals |
MDL: | MFCD00007387 |
LogP: | 2.52530 |
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 |
CN-112062691-A | Citral phenylbutyrate oxime ester compound and synthesis method and application thereof | 20200618 |
WO-2021119554-A1 | Compositions and methods for potentiating immune activity | 20191212 |
WO-2020242113-A1 | Composition for preventing, alleviating or treating metabolic syndrome accompanied by obesity and/or diabetes, containing, as active ingredient, complex (ib complex) of indian gooseberry extract and sprout barley extract | 20190530 |
WO-2020208108-A1 | Composition for use in improving endothelial function by enhancing flow mediated dilation | 20190410 |
WO-2020193752-A1 | Use of green coffee based compositions for improving insulin profile | 20190327 |
PMID | Publication Date | Title | Journal |
22745826 | 20120101 | Inhibition of gastric lipase as a mechanism for body weight and plasma lipids reduction in Zucker rats fed a rosemary extract rich in carnosic acid | PloS one |
22806812 | 20120101 | A novel cold active esterase derived from Colombian high Andean forest soil metagenome | World journal of microbiology & biotechnology |
21445272 | 20110318 | Nerve agent hydrolysis activity designed into a human drug metabolism enzyme | PloS one |
20497425 | 20100901 | Structure-activity relationship of butyrate analogues on apoptosis, proliferation and histone deacetylase activity in HCT-116 human colorectal cancer cells | Clinical and experimental pharmacology & physiology |
20391335 | 20100323 | Isolation of a novel lipase from a metagenomic library derived from mangrove sediment from the south Brazilian coast | Genetics and molecular research : GMR |
Complexity: | 228 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 209.06880783 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.06880783 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 83.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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