| CAS Number | 112534-31-3 |
| Catalog Number | AG01A27Q |
| Chemical Name | 1-(3-Aminophenyl)ethane-1,2-diol |
| IUPAC Name | 1-(3-aminophenyl)ethane-1,2-diol |
| InChI | InChI=1S/C8H11NO2/c9-7-3-1-2-6(4-7)8(11)5-10/h1-4,8,10-11H,5,9H2 |
| InChI Key | WLEZORZJBMDTIJ-UHFFFAOYSA-N |
| MDL Number | MFCD16702548 |
| Molecular Formula | C8H11NO2 |
| Molecular Weight | 153.1784 |
| SMILES | NC1=CC(C(CO)O)=CC=C1 |
| Synonyms | 1-(3-aminophenyl)ethane-1,2-diol,
112534-31-3,
SCHEMBL2238144,
WLEZORZJBMDTIJ-UHFFFAOYSA-N,
AKOS011550303,
MCULE-7813368144,
NE49512,
Z1520655330,
|
| Complexity | 119 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 153.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 153.181g/mol |
| Monoisotopic Mass | 153.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number