5-Propylisoxazole-3-carboxylic acid - CAS 89776-75-0
Catalog: |
BB039592 |
Product Name: |
5-Propylisoxazole-3-carboxylic acid |
CAS: |
89776-75-0 |
Synonyms: |
5-propyl-1,2-oxazole-3-carboxylic acid |
IUPAC Name: | 5-propyl-1,2-oxazole-3-carboxylic acid |
Description: | 5-Propylisoxazole-3-carboxylic acid (CAS# 89776-75-0) is a useful research chemical. |
Molecular Weight: | 155.15 |
Molecular Formula: | C7H9NO3 |
Canonical SMILES: | CCCC1=CC(=NO1)C(=O)O |
InChI: | InChI=1S/C7H9NO3/c1-2-3-5-4-6(7(9)10)8-11-5/h4H,2-3H2,1H3,(H,9,10) |
InChI Key: | ZXWHSBZHRVKCGZ-UHFFFAOYSA-N |
Boiling Point: | 321.5 °C at 760 mmHg |
Density: | 1.218 g/cm3 |
MDL: | MFCD05668697 |
LogP: | 1.32530 |
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 |
JP-WO2016204006-A1 | Harmful arthropod control agent | 20150617 |
US-10426168-B2 | Agent for controlling noxious arthropods | 20150617 |
US-2018168159-A1 | Agent for controlling noxious arthropods | 20150617 |
WO-2016204006-A1 | Agent for controlling noxious arthropods | 20150617 |
JP-6763380-B2 | Harmful arthropod control agent | 20150617 |
Complexity: | 149 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 155.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 155.058243149 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 63.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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