3,5-Dimethyl-4,5-dihydro-5-isoxazolecarboxylic acid - CAS 908248-87-3
Catalog: |
BB039965 |
Product Name: |
3,5-Dimethyl-4,5-dihydro-5-isoxazolecarboxylic acid |
CAS: |
908248-87-3 |
Synonyms: |
3,5-dimethyl-4H-1,2-oxazole-5-carboxylic acid |
IUPAC Name: | 3,5-dimethyl-4H-1,2-oxazole-5-carboxylic acid |
Description: | 3,5-Dimethyl-4,5-dihydro-5-isoxazolecarboxylic acid (CAS# 908248-87-3) is a useful research chemical. |
Molecular Weight: | 143.14 |
Molecular Formula: | C6H9NO3 |
Canonical SMILES: | CC1=NOC(C1)(C)C(=O)O |
InChI: | InChI=1S/C6H9NO3/c1-4-3-6(2,5(8)9)10-7-4/h3H2,1-2H3,(H,8,9) |
InChI Key: | SKHXMZPMVWJQQE-UHFFFAOYSA-N |
Boiling Point: | 255.4 °C at 760 mmHg |
Density: | 1.3 g/cm3 |
MDL: | MFCD11053215 |
LogP: | 0.06150 |
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 |
WO-2014048827-A1 | 3-phenylisoxazolin derivatives with herbicidal action | 20120925 |
EP-2558577-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
WO-2011127933-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
WO-2006090234-A1 | Heterocyclic derivatives as cell adhesion inhibitors | 20050222 |
AU-2005307003-A1 | Novel heterocycle derivatives useful as selective androgen receptor modulators (SARMs) | 20041116 |
Complexity: | 199 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 143.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 143.058243149 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 58.9 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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Isoxazoles
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