3-(2-Nitrophenoxy)propionic Acid - CAS 6336-59-0
Catalog: |
BB032118 |
Product Name: |
3-(2-Nitrophenoxy)propionic Acid |
CAS: |
6336-59-0 |
Synonyms: |
3-(2-nitrophenoxy)propanoic acid; 3-(2-nitrophenoxy)propanoic acid |
IUPAC Name: | 3-(2-nitrophenoxy)propanoic acid |
Description: | 3-(2-Nitrophenoxy)propionic Acid (CAS# 6336-59-0) is a useful research chemical. |
Molecular Weight: | 211.17 |
Molecular Formula: | C9H9NO5 |
Canonical SMILES: | C1=CC=C(C(=C1)[N+](=O)[O-])OCCC(=O)O |
InChI: | InChI=1S/C9H9NO5/c11-9(12)5-6-15-8-4-2-1-3-7(8)10(13)14/h1-4H,5-6H2,(H,11,12) |
InChI Key: | AKIYJDFJPJUROC-UHFFFAOYSA-N |
Boiling Point: | 373.7 °C at 760 mmHg |
Density: | 1.38 g/cm3 |
LogP: | 1.97150 |
Publication Number | Title | Priority Date |
CN-106349233-A | 3,4-diphenyl-4H-1,2,4-triazole derivative as well as preparation method and application thereof | 20150715 |
CN-106349233-B | 3, 4-diphenyl-4H-1, 2, 4-triazole derivative and preparation method and application thereof | 20150715 |
EP-1475368-A1 | N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient | 20020214 |
US-2005101600-A1 | N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient | 20020214 |
US-7368444-B2 | N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient | 20020214 |
Complexity: | 237 |
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 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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