| CAS Number | 34862-03-8 |
| Catalog Number | AG00C97S(AGN-PC-00NP82) |
| Chemical Name | 2-Methyl-2-phenylsuccinic acid |
| IUPAC Name | 2-methyl-2-phenylbutanedioic acid |
| InChI | InChI=1S/C11H12O4/c1-11(10(14)15,7-9(12)13)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,12,13)(H,14,15) |
| InChI Key | ZQVXSSDWCRHKPX-UHFFFAOYSA-N |
| MDL Number | MFCD00021683 |
| Molecular Formula | C11H12O4 |
| Molecular Weight | 208.2106 |
| SMILES | C(C)(C1=CC=CC=C1)(CC(O)=O)C(O)=O |
| Synonyms | 2-METHYL-2-PHENYLSUCCINIC ACID,
2-methyl-2-phenylbutanedioic acid,
34862-03-8,
2-methyl-2-phenyl-butanedioic Acid,
phenylpyrotartaric acid,
AC1MWCW2,
SCHEMBL3719792,
2-Methyl-2-phenyl-succinic Acid,
DTXSID90395871,
HMS1612C11,
MCULE-2427015918,
ACM34862038,
NCGC00319449-01,
BBV-45111895,
FT-0672135,
AB01315905-02,
SR-01000081999,
SR-01000081999-1,
CID3747215,
|
| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.213g/mol |
| Monoisotopic Mass | 208.074g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 74.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number