| CAS Number | 97398-65-7 |
| Catalog Number | AG01BKEX(AGN-PC-0N59OP) |
| Chemical Name | 7-nitro-2,3-dihydro-1,4-benzodioxin-6-ol |
| IUPAC Name | 7-nitro-2,3-dihydro-1,4-benzodioxin-6-ol |
| InChI | InChI=1S/C8H7NO5/c10-6-4-8-7(13-1-2-14-8)3-5(6)9(11)12/h3-4,10H,1-2H2 |
| InChI Key | LRHFGBDYKMSVMK-UHFFFAOYSA-N |
| MDL Number | MFCD19374207 |
| Molecular Formula | C8H7NO5 |
| Molecular Weight | 197.1449 |
| SMILES | OC1=C([N+]([O-])=O)C=C2C(OCCO2)=C1 |
| Synonyms | 97398-65-7,
7-nitro-2,3-dihydro-1,4-benzodioxin-6-ol,
7-nitro-2,3-dihydro-benzo[1,4]dioxin-6-ol,
SCHEMBL5164754,
ZINC38950957,
AKOS017514743,
7-nitro-2,3-dihydrobenzo[b][1,4]dioxin-6-ol,
CID10488152,
3-nitro-7,10-dioxabicyclo[4.4.0]deca-2,4,11-trien-4-ol,
|
| Complexity | 228 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.146g/mol |
| Monoisotopic Mass | 197.032g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 84.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number