| CAS Number | 21165-11-7 |
| Catalog Number | AG00BU9C(AGN-PC-0QXQ8Q) |
| Chemical Name | α-Hydroxy-2-methoxybenzeneacetic acid methyl ester |
| IUPAC Name | methyl 2-hydroxy-2-(2-methoxyphenyl)acetate |
| InChI | InChI=1S/C10H12O4/c1-13-8-6-4-3-5-7(8)9(11)10(12)14-2/h3-6,9,11H,1-2H3 |
| InChI Key | KFHNZFDETCOCCF-UHFFFAOYSA-N |
| MDL Number | MFCD16693823 |
| Molecular Formula | C10H12O4 |
| Molecular Weight | 196.1999 |
| SMILES | O=C(OC)C(O)C1=CC=CC=C1OC |
| Synonyms | methyl 2-hydroxy-2-(2-methoxyphenyl)acetate,
KFHNZFDETCOCCF-UHFFFAOYSA-N,
21165-11-7,
AC1LBOLT,
Mandelic acid, o-methoxy-, methyl ester,
methyl 2-methoxymandelate,
SCHEMBL7443221,
CTK8H5788,
AKOS011496496,
Methyl hydroxy(2-methoxyphenyl)acetate #,
alpha-Hydroxy-2-methoxybenzeneacetic acid methyl ester,
Z2724441570,
Benzeneacetic acid, .alpha.-hydroxy-2-methoxy-, methyl ester,
CID586311,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.202g/mol |
| Monoisotopic Mass | 196.074g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number