| CAS Number | 1094382-34-9 |
| Catalog Number | AG00HBHO(AGN-PC-0WOD4C) |
| Chemical Name | 3-methyl-5-propyl-1,2-oxazole-4-carboxylic acid |
| IUPAC Name | 3-methyl-5-propyl-1,2-oxazole-4-carboxylic acid |
| 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 |
| MDL Number | MFCD11182405 |
| Molecular Formula | C8H11NO3 |
| Molecular Weight | 169.1778 |
| SMILES | CCCC1=C(C(O)=O)C(C)=NO1 |
| Synonyms | 3-METHYL-5-PROPYL-1,2-OXAZOLE-4-CARBOXYLIC ACID,
1094382-34-9,
3-Methyl-5-propylisoxazole-4-carboxylic acid,
MFCD11182405,
ZINC36903557,
AKOS009316899,
MCULE-7657407286,
NE47832,
AM806254,
CS-0037112,
Z1331054614,
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| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.18g/mol |
| Monoisotopic Mass | 169.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number