| CAS Number | 1018051-09-6 |
| Catalog Number | AG019Y9K |
| Chemical Name | 2-((3-Methylisoxazol-5-yl)methoxy)acetic acid |
| IUPAC Name | 2-[(3-methyl-1,2-oxazol-5-yl)methoxy]acetic acid |
| InChI | InChI=1S/C7H9NO4/c1-5-2-6(12-8-5)3-11-4-7(9)10/h2H,3-4H2,1H3,(H,9,10) |
| InChI Key | JLTTUNQXSPDJFU-UHFFFAOYSA-N |
| MDL Number | MFCD09859453 |
| Molecular Formula | C7H9NO4 |
| Molecular Weight | 171.1507 |
| SMILES | CC1=NOC(COCC(O)=O)=C1 |
| Synonyms | 1018051-09-6,
2-[(3-methyl-1,2-oxazol-5-yl)methoxy]acetic acid,
2-[(3-methylisoxazol-5-yl)methoxy]acetic acid,
2-((3-Methylisoxazol-5-yl)methoxy)acetic acid,
SBB026257,
STK353184,
ZINC12398799,
AKOS006311088,
MCULE-6396081725,
ST45055182,
[(3-methyl-1,2-oxazol-5-yl)methoxy]acetic acid,
Z2106600796,
|
| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.152g/mol |
| Monoisotopic Mass | 171.053g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 72.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number