3-tert-butyl-5-methyl-1,2-oxazole-4-carboxylic acid - CAS 90643-64-4
Catalog: |
BB039917 |
Product Name: |
3-tert-butyl-5-methyl-1,2-oxazole-4-carboxylic acid |
CAS: |
90643-64-4 |
Synonyms: |
3-tert-butyl-5-methyl-4-isoxazolecarboxylic acid; 3-tert-butyl-5-methyl-1,2-oxazole-4-carboxylic acid |
IUPAC Name: | 3-tert-butyl-5-methyl-1,2-oxazole-4-carboxylic acid |
Description: | 3-tert-butyl-5-methyl-1,2-oxazole-4-carboxylic acid (CAS# 90643-64-4) is a useful research chemical. |
Molecular Weight: | 183.207 |
Molecular Formula: | C9H13NO3 |
Canonical SMILES: | CC1=C(C(=NO1)C(C)(C)C)C(=O)O |
InChI: | InChI=1S/C9H13NO3/c1-5-6(8(11)12)7(10-13-5)9(2,3)4/h1-4H3,(H,11,12) |
InChI Key: | UKBDFVBVJCUFQV-UHFFFAOYSA-N |
MDL: | MFCD07376063 |
LogP: | 1.97870 |
Publication Number | Title | Priority Date |
AU-2011348637-A1 | Ingenol-3-acylates III and ingenol-3-carbamates | 20101222 |
AU-2011348637-B2 | Ingenol-3-acylates III and ingenol-3-carbamates | 20101222 |
AU-2015210441-A1 | Ingenol-3-acylates iii and ingenol-3-carbamates | 20101222 |
AU-2015210441-B2 | Ingenol-3-acylates iii and ingenol-3-carbamates | 20101222 |
CA-2822310-A1 | Ingenol-3-acylates iii and ingenol-3-carbamates | 20101222 |
Complexity: | 209 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 183.08954328 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 183.08954328 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 63.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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Oxazole/Thiazole
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