| CAS Number | 7472-67-5 |
| Catalog Number | AG01AB6G(AGN-PC-0U5Z78) |
| Chemical Name | 2-Methoxy-2-phenylpropanoic acid |
| IUPAC Name | 2-methoxy-2-phenylpropanoic acid |
| InChI | InChI=1S/C10H12O3/c1-10(13-2,9(11)12)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,11,12) |
| InChI Key | PGVVKQANLPHXOW-UHFFFAOYSA-N |
| MDL Number | MFCD00231151 |
| Molecular Formula | C10H12O3 |
| Molecular Weight | 180.2005 |
| NSC Number | 402043 |
| SMILES | COC(C1=CC=CC=C1)(C(O)=O)C |
| Synonyms | 2-methoxy-2-phenylpropanoic acid,
7472-67-5,
2-methoxy-2-phenyl-propionic acid,
NSC402043,
methoxyphenylpropionic acid,
AC1L81LP,
AC1Q44EL,
SCHEMBL2517938,
DTXSID60322790,
PGVVKQANLPHXOW-UHFFFAOYSA-N,
MFCD00231151,
AKOS008146682,
MCULE-6951567151,
NE48106,
NSC-402043,
(RS)-2-Methoxy-2-phenyl-propionic acid,
EN300-70609,
CID344895,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.203g/mol |
| Monoisotopic Mass | 180.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number