| CAS Number | 260417-00-3 |
| Catalog Number | AG01C301 |
| Chemical Name | 4-(Hydroxymethyl)-2-methoxy-5-nitrophenol |
| IUPAC Name | 4-(hydroxymethyl)-2-methoxy-5-nitrophenol |
| InChI | InChI=1S/C8H9NO5/c1-14-8-2-5(4-10)6(9(12)13)3-7(8)11/h2-3,10-11H,4H2,1H3 |
| InChI Key | ILTAOBUUHMDUBI-UHFFFAOYSA-N |
| MDL Number | MFCD16669041 |
| Molecular Formula | C8H9NO5 |
| Molecular Weight | 199.1608 |
| SMILES | COC1=C(O)C=C([N+]([O-])=O)C(CO)=C1 |
| Synonyms | 4-(hydroxymethyl)-2-methoxy-5-nitrophenol,
260417-00-3,
SCHEMBL13284232,
ZINC50273180,
AKOS011349892,
Z2309759230,
|
| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.048072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.16g/mol |
| Monoisotopic Mass | 199.048072g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 95.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number