(3aR,4S,9bS)-8-Nitro-3a,4,5,9b-tetrahydro-3h-cyclopenta[c]quinoline-4-carboxylic Acid - CAS 1415811-49-2
Catalog: |
BB076399 |
Product Name: |
(3aR,4S,9bS)-8-Nitro-3a,4,5,9b-tetrahydro-3h-cyclopenta[c]quinoline-4-carboxylic Acid |
CAS: |
1415811-49-2 |
Synonyms: |
(3aR,4S,9bS)-8-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid; (3aR,4S,9bS)-8-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylicacid |
IUPAC Name: | (3aR,4S,9bS)-8-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid |
Description: | (3aR,4S,9bS)-8-Nitro-3a,4,5,9b-tetrahydro-3h-cyclopenta[c]quinoline-4-carboxylic Acid |
Molecular Weight: | 260.25 |
Molecular Formula: | C13H12N2O4 |
Canonical SMILES: | C1C=CC2C1C(NC3=C2C=C(C=C3)[N+](=O)[O-])C(=O)O |
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 |
Complexity: | 431 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 3 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 260.07970687 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 260.07970687 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 95.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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