3-(4-Nitrophenoxy)propionic Acid - CAS 10572-16-4
Catalog: |
BB001695 |
Product Name: |
3-(4-Nitrophenoxy)propionic Acid |
CAS: |
10572-16-4 |
Synonyms: |
3-(4-nitrophenoxy)propanoic acid; 3-(4-nitrophenoxy)propanoic acid |
IUPAC Name: | 3-(4-nitrophenoxy)propanoic acid |
Description: | 3-(4-Nitrophenoxy)propionic Acid (CAS# 10572-16-4) is a useful research chemical. |
Molecular Weight: | 211.17 |
Molecular Formula: | C9H9NO5 |
Canonical SMILES: | C1=CC(=CC=C1[N+](=O)[O-])OCCC(=O)O |
InChI: | InChI=1S/C9H9NO5/c11-9(12)5-6-15-8-3-1-7(2-4-8)10(13)14/h1-4H,5-6H2,(H,11,12) |
InChI Key: | RRQDYEMTBDVXQY-UHFFFAOYSA-N |
Boiling Point: | 383.6 °C at 760 mmHg |
Density: | 1.38 g/cm3 |
Storage: | Sealed in dry, Room Temperature |
LogP: | 1.97150 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-2864289-A1 | Cyclopropanecarboxamido-substitute aromatic compounds as anti-tumor agents | 20120626 |
EP-2864289-B1 | Cyclopropanecarboxamido-substituted aromatic compounds as anti-tumor agents | 20120626 |
US-2015197511-A1 | Cyclopropanecarboxamido-substitute aromatic compounds as anti-tumor agents | 20120626 |
US-2016280664-A1 | Cyclopropanecarboxamido-Substituted Aromatic Compounds as Anti-tumor Agents | 20120626 |
US-9359338-B2 | Cyclopropanecarboxamido-substitute aromatic compounds as anti-tumor agents | 20120626 |
Complexity: | 229 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 211.04807239 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 211.04807239 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 92.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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