| CAS Number | 1415811-49-2 |
| Catalog Number | AG00HW37(AGN-PC-0WNXF7) |
| Chemical Name | (3Ar,4s,9bs)-8-nitro-3a,4,5,9b-tetrahydro-3h-cyclopenta[c]quinoline-4-carboxylic acid |
| IUPAC Name | (3aR,4S,9bS)-8-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid |
| InChI | InChI=1S/C13H12N2O4/c16-13(17)12-9-3-1-2-8(9)10-6-7(15(18)19)4-5-11(10)14-12/h1-2,4-6,8-9,12,14H,3H2,(H,16,17)/t8-,9+,12-/m0/s1 |
| InChI Key | FVGRNYLHBYNHAI-SBMIAAHKSA-N |
| MDL Number | MFCD07363471 |
| Molecular Formula | C13H12N2O4 |
| Molecular Weight | 260.2454 |
| SMILES | OC(=O)[C@H]1Nc2ccc(cc2[C@@H]2[C@H]1CC=C2)[N+](=O)[O-] |
| Synonyms | (3aR,4S,9bS)-8-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid,
1415811-49-2,
CPQ-0032,
ZINC4237801,
AKOS001476815,
H8984,
FVGRNYLHBYNHAI-SBMIAAHKSA-N,
CID11885449,
BAS 00586470,
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| Complexity | 431 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.249g/mol |
| Monoisotopic Mass | 260.08g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 95.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number