| CAS Number | 959049-91-3 |
| Catalog Number | AG01B5RL |
| Chemical Name | (4-amino-1,2-phenylene)dimethanol |
| IUPAC Name | [4-amino-2-(hydroxymethyl)phenyl]methanol |
| InChI | InChI=1S/C8H11NO2/c9-8-2-1-6(4-10)7(3-8)5-11/h1-3,10-11H,4-5,9H2 |
| InChI Key | XYCAOJYRZJFHAZ-UHFFFAOYSA-N |
| MDL Number | MFCD30342571 |
| Molecular Formula | C8H11NO2 |
| Molecular Weight | 153.1784 |
| SMILES | NC1=CC(CO)=C(CO)C=C1 |
| Synonyms | [4-amino-2-(hydroxymethyl)phenyl]methanol,
959049-91-3,
(5-Amino-2-hydroxymethyl-phenyl)-methanol,
AC1O4XZ5,
SCHEMBL13183889,
XYCAOJYRZJFHAZ-UHFFFAOYSA-N,
ZINC33945430,
AKOS033948829,
Z2583036276,
CID6422064,
|
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
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Certificate of Analysis
Lot Number