2-(Benzyloxy)isonicotinic Acid - CAS 467236-25-5
Catalog: |
BB026172 |
Product Name: |
2-(Benzyloxy)isonicotinic Acid |
CAS: |
467236-25-5 |
Synonyms: |
2-phenylmethoxy-4-pyridinecarboxylic acid; 2-phenylmethoxypyridine-4-carboxylic acid |
IUPAC Name: | 2-phenylmethoxypyridine-4-carboxylic acid |
Description: | 2-(Benzyloxy)isonicotinic Acid (CAS# 467236-25-5) is a useful research chemical. |
Molecular Weight: | 229.23 |
Molecular Formula: | C13H11NO3 |
Canonical SMILES: | C1=CC=C(C=C1)COC2=NC=CC(=C2)C(=O)O |
InChI: | InChI=1S/C13H11NO3/c15-13(16)11-6-7-14-12(8-11)17-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,15,16) |
InChI Key: | JIVIAPHYBVSLIP-UHFFFAOYSA-N |
MDL: | MFCD11100038 |
LogP: | 2.35880 |
GHS Hazard Statement: | H302 (100%): 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 |
AU-2008303600-A1 | 1,1,1-trifluoro-2-hydroxy-3-phenylpropane derivatives | 20070927 |
AU-2008303600-B2 | 1,1,1-trifluoro-2-hydroxy-3-phenylpropane derivatives | 20070927 |
AU-2008303600-B8 | 1,1,1-trifluoro-2-hydroxy-3-phenylpropane derivatives | 20070927 |
CA-2700277-A1 | 1,1,1-trifluoro-2-hydroxy-3-phenylpropane derivatives | 20070927 |
EP-2205562-A1 | 1,1,1-trifluoro-2-hydroxy-3-phenylpropane derivatives | 20070927 |
Complexity: | 251 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.07389321 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.07389321 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 59.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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