| CAS Number | 56124-60-8 |
| Catalog Number | AG00IA0T(AGN-PC-00KWC6) |
| Chemical Name | 4-Nitro-2,3-dihydro-1H-inden-1-OL |
| IUPAC Name | 4-nitro-2,3-dihydro-1H-inden-1-ol |
| InChI | InChI=1S/C9H9NO3/c11-9-5-4-6-7(9)2-1-3-8(6)10(12)13/h1-3,9,11H,4-5H2 |
| InChI Key | LZMRRYRIKGREQH-UHFFFAOYSA-N |
| MDL Number | MFCD18207620 |
| Molecular Formula | C9H9NO3 |
| Molecular Weight | 179.1727 |
| SMILES | OC1CCC2=C1C=CC=C2[N+]([O-])=O |
| Synonyms | 4-NITRO-2,3-DIHYDRO-1H-INDEN-1-OL,
56124-60-8,
4-nitro-1-indanol,
4-nitroindan-1-ol,
1H-Inden-1-ol, 2,3-dihydro-4-nitro-,
SCHEMBL1573408,
LZMRRYRIKGREQH-UHFFFAOYSA-N,
MFCD18207620,
2,3-Dihydro-4-nitro-1H-inden-1-ol,
AS-42814,
FT-0729701,
|
| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.175g/mol |
| Monoisotopic Mass | 179.058g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number