| CAS Number | 70310-96-2 |
| Catalog Number | AG01B9DM(AGN-PC-0JWIFG) |
| Chemical Name | 4-Hydroxy-5-nitroisophthalaldehyde |
| IUPAC Name | 4-hydroxy-5-nitrobenzene-1,3-dicarbaldehyde |
| InChI | InChI=1S/C8H5NO5/c10-3-5-1-6(4-11)8(12)7(2-5)9(13)14/h1-4,12H |
| InChI Key | IQVHZPYPLGQYPC-UHFFFAOYSA-N |
| MDL Number | MFCD00839418 |
| Molecular Formula | C8H5NO5 |
| Molecular Weight | 195.1290 |
| SMILES | OC1=C([N+]([O-])=O)C=C(C=O)C=C1C=O |
| Synonyms | 4-hydroxy-5-nitrobenzene-1,3-dicarbaldehyde,
4-Hydroxy-5-nitroisophthalaldehyde,
70310-96-2,
AC1LGAM0,
AE-848/30539035,
3-nitro-5-formylsalicylaldehyde,
SCHEMBL15783651,
CTK7H8683,
ZINC332716,
SBB091835,
AKOS006272007,
CID818107,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.13g/mol |
| Monoisotopic Mass | 195.017g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 100A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number