| CAS Number | 1181574-73-1 |
| Catalog Number | AG01A2JM |
| Chemical Name | 2-Hydroxy-3-(3-methoxyphenyl)propanoic acid |
| IUPAC Name | 2-hydroxy-3-(3-methoxyphenyl)propanoic acid |
| InChI | InChI=1S/C10H12O4/c1-14-8-4-2-3-7(5-8)6-9(11)10(12)13/h2-5,9,11H,6H2,1H3,(H,12,13) |
| InChI Key | NYKBGDTVNFDPRC-UHFFFAOYSA-N |
| MDL Number | MFCD11935533 |
| Molecular Formula | C10H12O4 |
| Molecular Weight | 196.1999 |
| SMILES | O=C(O)C(O)CC1=CC=CC(OC)=C1 |
| Synonyms | 2-hydroxy-3-(3-methoxyphenyl)propanoic acid,
1181574-73-1,
SCHEMBL1368547,
AKOS014313081,
MCULE-7986584679,
NE57352,
Z1815155518,
|
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.202g/mol |
| Monoisotopic Mass | 196.074g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number