4-Nitrophenylacetic acid - CAS 104-03-0
Catalog: |
BB001306 |
Product Name: |
4-Nitrophenylacetic acid |
CAS: |
104-03-0 |
Synonyms: |
2-(4-nitrophenyl)acetic acid |
IUPAC Name: | 2-(4-nitrophenyl)acetic acid |
Description: | 4-Nitrophenylacetic acid (CAS# 104-03-0) is a useful research chemical. |
Molecular Weight: | 181.15 |
Molecular Formula: | C8H7NO4 |
Canonical SMILES: | C1=CC(=CC=C1CC(=O)O)[N+](=O)[O-] |
InChI: | InChI=1S/C8H7NO4/c10-8(11)5-6-1-3-7(4-2-6)9(12)13/h1-4H,5H2,(H,10,11) |
InChI Key: | YBADLXQNJCMBKR-UHFFFAOYSA-N |
Boiling Point: | 377.6 °C at 760 mmHg |
Purity: | 97 % |
Density: | 1.407 g/cm3 |
Appearance: | Beige to yellow crystalline powder |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD00007383 |
LogP: | 1.74510 |
Vapor Pressure: | 0.0000291 [mmHg] |
GHS Hazard Statement: | H315 (94.12%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22833171 | 20121001 | Species difference of esterase expression and hydrolase activity in plasma | Journal of pharmaceutical sciences |
22888048 | 20120917 | Carbonic anhydrase immobilized on encapsulated magnetic nanoparticles for CO2 sequestration | Chemistry (Weinheim an der Bergstrasse, Germany) |
22687439 | 20120801 | Synthesis and carbonic anhydrase inhibitory properties of novel bromophenols and their derivatives including natural products: vidalol B | European journal of medicinal chemistry |
22715026 | 20120801 | Expression and characterization of codon-optimized carbonic anhydrase from Dunaliella species for CO(2) sequestration application | Applied biochemistry and biotechnology |
21949088 | 20120501 | The impact of heavy metals on the activity of carbonic anhydrase from rainbow trout (Oncorhynchus mykiss) kidney | Toxicology and industrial health |
Complexity: | 203 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 181.03750770 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 181.03750770 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 83.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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