| CAS Number | 154928-90-2 |
| Catalog Number | AG001NHD(AGN-PC-0N3S6S) |
| Chemical Name | 4-Isoxazolepropanoic acid, 3,5-dimethyl-, methyl ester |
| IUPAC Name | methyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate |
| InChI | InChI=1S/C9H13NO3/c1-6-8(7(2)13-10-6)4-5-9(11)12-3/h4-5H2,1-3H3 |
| InChI Key | CCJKJNYCQZFBDN-UHFFFAOYSA-N |
| MDL Number | MFCD08701341 |
| Molecular Formula | C9H13NO3 |
| Molecular Weight | 183.2044 |
| SMILES | Cc1c(c(on1)C)CCC(=O)OC |
| Synonyms | Methyl 3-(3,5-dimethylisoxazol-4-yl)propanoate,
154928-90-2,
Methyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate,
SCHEMBL4182412,
MFCD08701341,
ZINC26547900,
AKOS003673052,
AS-41123,
4-Isoxazolepropanoic acid, 3,5-dimethyl-, methyl ester,
CID10397463,
methyl 3-(3,5-dimethylisoxazol-4-yl)propanoate, 95% - 1G 1g,
|
| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.207g/mol |
| Monoisotopic Mass | 183.09g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number