| CAS Number | 1039913-30-8 |
| Catalog Number | AG019W8F |
| Chemical Name | (2-Ethoxy-5-nitrophenyl)methanol |
| IUPAC Name | (2-ethoxy-5-nitrophenyl)methanol |
| InChI | InChI=1S/C9H11NO4/c1-2-14-9-4-3-8(10(12)13)5-7(9)6-11/h3-5,11H,2,6H2,1H3 |
| InChI Key | JOOFPLFFIISCIY-UHFFFAOYSA-N |
| MDL Number | MFCD08460626 |
| Molecular Formula | C9H11NO4 |
| Molecular Weight | 197.1879 |
| SMILES | CCOC1=C(CO)C=C([N+]([O-])=O)C=C1 |
| Synonyms | (2-ethoxy-5-nitrophenyl)methanol,
1039913-30-8,
AC1Q35MJ,
SCHEMBL16959290,
CTK6G2440,
ZINC20468413,
AKOS009250634,
MCULE-6524751838,
NE40611,
EN300-51024,
AB01005423-01,
Z744754414,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.19g/mol |
| Monoisotopic Mass | 197.069g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 75.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number