4-(5-Oxazolyl)benzaldehyde - CAS 179057-31-9
Catalog: |
BB013538 |
Product Name: |
4-(5-Oxazolyl)benzaldehyde |
CAS: |
179057-31-9 |
Synonyms: |
4-(5-oxazolyl)benzaldehyde; 4-(1,3-oxazol-5-yl)benzaldehyde |
IUPAC Name: | 4-(1,3-oxazol-5-yl)benzaldehyde |
Description: | 4-(5-Oxazolyl)benzaldehyde (CAS# 179057-31-9 ) is a useful research chemical. |
Molecular Weight: | 173.17 |
Molecular Formula: | C10H7NO2 |
Canonical SMILES: | C1=CC(=CC=C1C=O)C2=CN=CO2 |
InChI: | InChI=1S/C10H7NO2/c12-6-8-1-3-9(4-2-8)10-5-11-7-13-10/h1-7H |
InChI Key: | GDXLZBAOBKGCEK-UHFFFAOYSA-N |
Boiling Point: | 337.1 °C at 760 mmHg |
Density: | 1.216 g/cm3 |
LogP: | 2.15410 |
Publication Number | Title | Priority Date |
AU-2015360482-A1 | Compositions and methods for treating diseases and conditions | 20141210 |
CA-3006541-A1 | Compositions and methods for treating diseases and conditions | 20141210 |
EP-3230254-A1 | Compositions and methods for treating diseases and conditions | 20141210 |
JP-2017537125-A | Compositions and methods for treating diseases and conditions | 20141210 |
US-10487076-B2 | Compositions and methods for treating diseases and conditions | 20141210 |
Complexity: | 176 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 173.047678466 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 173.047678466 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 43.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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