| CAS Number | 63403-11-2 |
| Catalog Number | AG00EE73(AGN-PC-05W5RT) |
| Chemical Name | 3-Methyl-2-(m-tolyloxy)butanoic acid |
| IUPAC Name | 3-methyl-2-(3-methylphenoxy)butanoic acid |
| InChI | InChI=1S/C12H16O3/c1-8(2)11(12(13)14)15-10-6-4-5-9(3)7-10/h4-8,11H,1-3H3,(H,13,14) |
| InChI Key | VNGYPVYWLSMETA-UHFFFAOYSA-N |
| MDL Number | MFCD05863709 |
| Molecular Formula | C12H16O3 |
| Molecular Weight | 208.2536 |
| SMILES | C(O)(=O)C(C(C)C)OC1=CC=CC(C)=C1 |
| Synonyms | 3-methyl-2-(3-methylphenoxy)butanoic Acid,
63403-11-2,
3-Methyl-2-(m-tolyloxy)butanoic acid,
AC1MWBNG,
SCHEMBL7836617,
alpha-m-tolyloxy-isovaleric acid,
CTK5B9020,
DTXSID20395864,
ZX-CM017034,
MFCD05863709,
AKOS000165338,
AKOS022184553,
BBV-056932,
Y-1891,
CID3746629,
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| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.257g/mol |
| Monoisotopic Mass | 208.11g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number