| CAS Number | 71659-83-1 |
| Catalog Number | AG0063OY(AGN-PC-0L05ZL) |
| Chemical Name | 2-Methyl-2-(4-methyl-2-nitrophenoxy)propanoic acid |
| IUPAC Name | 2-methyl-2-(4-methyl-2-nitrophenoxy)propanoic acid |
| InChI | InChI=1S/C11H13NO5/c1-7-4-5-9(8(6-7)12(15)16)17-11(2,3)10(13)14/h4-6H,1-3H3,(H,13,14) |
| InChI Key | IUXQTPWVNRHRKE-UHFFFAOYSA-N |
| MDL Number | MFCD03422269 |
| Molecular Formula | C11H13NO5 |
| Molecular Weight | 239.2246 |
| SMILES | [N+](=O)([O-])C1=CC(C)=CC=C1OC(C)(C)C(O)=O |
| Synonyms | 2-methyl-2-(4-methyl-2-nitrophenoxy)propanoic acid,
71659-83-1,
AC1MXQGQ,
Oprea1_165545,
CTK5D4801,
DTXSID40396510,
AKOS B013916,
ZINC2557828,
ZX-CM000905,
MFCD03422269,
STK435952,
AKOS000308684,
MCULE-8530464502,
AJ-40071,
ST50844031,
Y-0483,
CID3794500,
2-methyl-2-(4-methyl-2-nitro-phenoxy)propanoic Acid,
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| Complexity | 310 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.227g/mol |
| Monoisotopic Mass | 239.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 92.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number