3-Methyl-5-propyl-1,2-oxazole-4-carboxylic Acid - CAS 1094382-34-9
Catalog: |
BB076229 |
Product Name: |
3-Methyl-5-propyl-1,2-oxazole-4-carboxylic Acid |
CAS: |
1094382-34-9 |
Synonyms: |
3-METHYL-5-PROPYL-1,2-OXAZOLE-4-CARBOXYLIC ACID; 3-Methyl-5-propylisoxazole-4-carboxylicacid |
IUPAC Name: | 3-methyl-5-propyl-1,2-oxazole-4-carboxylic acid |
Description: | 3-Methyl-5-Propyl-1,2-Oxazole-4-Carboxylic Acid (cas# 1094382-34-9) is a useful research chemical. |
Molecular Weight: | 169.17 |
Molecular Formula: | C8H11NO3 |
Canonical SMILES: | CCCC1=C(C(=NO1)C)C(=O)O |
InChI: | InChI=1S/C8H11NO3/c1-3-4-6-7(8(10)11)5(2)9-12-6/h3-4H2,1-2H3,(H,10,11) |
InChI Key: | DJAFNWRSVQALPK-UHFFFAOYSA-N |
Complexity: | 172 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 169.07389321 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 169.07389321 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 63.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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