| CAS Number | 418759-58-7 |
| Catalog Number | AG00D7UT(AGN-PC-0WD5QR) |
| Chemical Name | 1-(4-Hydroxy-5-methoxy-2-nitrophenyl)ethanone |
| IUPAC Name | 1-(4-hydroxy-5-methoxy-2-nitrophenyl)ethanone |
| InChI | InChI=1S/C9H9NO5/c1-5(11)6-3-9(15-2)8(12)4-7(6)10(13)14/h3-4,12H,1-2H3 |
| InChI Key | GZOJFKIFPFUTFG-UHFFFAOYSA-N |
| MDL Number | MFCD27996347 |
| Molecular Formula | C9H9NO5 |
| Molecular Weight | 211.1715 |
| SMILES | CC(C1=CC(OC)=C(O)C=C1[N+]([O-])=O)=O |
| Synonyms | 1-(4-hydroxy-5-methoxy-2-nitrophenyl)ethanone,
418759-58-7,
SCHEMBL9908176,
MFCD27996347,
ZINC98179170,
AKOS022189362,
DS-9182,
AK149773,
AJ-140276,
AX8287000,
2'-Nitro-4'-hydroxy-5'-methoxyacetophenone,
1-(4-hydroxy-5-methoxy-2-nitrophenyl)ethan-1-one,
ACN-052877,
|
| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.173g/mol |
| Monoisotopic Mass | 211.048g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 92.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number