2-Nitrophenylacetic acid - CAS 3740-52-1
Catalog: |
BB023272 |
Product Name: |
2-Nitrophenylacetic acid |
CAS: |
3740-52-1 |
Synonyms: |
2-(2-nitrophenyl)acetic acid |
IUPAC Name: | 2-(2-nitrophenyl)acetic acid |
Description: | 2-Nitrophenylacetic acid (CAS# 3740-52-1) is a useful research chemical. |
Molecular Weight: | 181.15 |
Molecular Formula: | C8H7NO4 |
Canonical SMILES: | C1=CC=C(C(=C1)CC(=O)O)[N+](=O)[O-] |
InChI: | InChI=1S/C8H7NO4/c10-8(11)5-6-3-1-2-4-7(6)9(12)13/h1-4H,5H2,(H,10,11) |
InChI Key: | WMUZDBZPDLHUMW-UHFFFAOYSA-N |
Boiling Point: | 345.1 °C at 760 mmHg |
Purity: | 98+ % |
Density: | 1.407 g/cm3 |
Appearance: | Yellow to beige crystalline powder |
MDL: | MFCD00007190 |
LogP: | 1.74510 |
GHS Hazard Statement: | H315 (100%): 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 |
23123248 | 20130325 | Inhibition of human carboxylesterases hCE1 and hiCE by cholinesterase inhibitors | Chemico-biological interactions |
21656637 | 20110801 | Molecular mechanism of uncaging CO2 from nitrophenylacetate provides general guidelines for improved ortho-nitrobenzyl cages | Chemphyschem : a European journal of chemical physics and physical chemistry |
20880228 | 20101101 | The α,5-dicarboxy-2-nitrobenzyl caging group, a tool for biophysical applications with improved hydrophilicity: synthesis, photochemical properties and biological characterization | Photochemistry and photobiology |
20417220 | 20100701 | Delta9-tetrahydrocannabinol is a full agonist at CB1 receptors on GABA neuron axon terminals in the hippocampus | Neuropharmacology |
20361745 | 20100507 | (2-Nitrophenyl)acetyl: a new, selectively removable hydroxyl protecting group | Organic letters |
Complexity: | 211 |
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: | 1.6 |
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