| CAS Number | 34841-02-6 |
| Catalog Number | AG00BYTU(AGN-PC-0RA8RK) |
| Chemical Name | 3-amino-3-(2,4-dimethoxyphenyl)propanoic acid |
| IUPAC Name | 3-amino-3-(2,4-dimethoxyphenyl)propanoic acid |
| InChI | InChI=1S/C11H15NO4/c1-15-7-3-4-8(10(5-7)16-2)9(12)6-11(13)14/h3-5,9H,6,12H2,1-2H3,(H,13,14) |
| InChI Key | RYDBREOLOYHYQB-UHFFFAOYSA-N |
| MDL Number | MFCD03002434 |
| Molecular Formula | C11H15NO4 |
| Molecular Weight | 225.2411 |
| SMILES | COC1=CC(OC)=C(C(CC(O)=O)N)C=C1 |
| Synonyms | 3-Amino-3-(2,4-dimethoxy-phenyl)-propionic acid,
34841-02-6,
3-amino-3-(2,4-dimethoxyphenyl)propanoic Acid,
3-Amino-3-(2,4-dimethoxyphenyl)propionic Acid,
SCHEMBL6761354,
CTK6J9381,
DTXSID40432861,
RYDBREOLOYHYQB-UHFFFAOYSA-N,
MFCD03002434,
AKOS000182576,
AKOS022687833,
AB12923,
ACM34841026,
SY044888,
MFCD03002434 (95%),
A57245,
CID9921429,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.244g/mol |
| Monoisotopic Mass | 225.1g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 81.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number