(3aR,4S,9bS)-6-Methyl-7-nitro-3a,4,5,9b-tetrahydro-3h-cyclopenta[c]quinoline-4-carboxylic Acid - CAS 956523-14-1
Catalog: |
BB059537 |
Product Name: |
(3aR,4S,9bS)-6-Methyl-7-nitro-3a,4,5,9b-tetrahydro-3h-cyclopenta[c]quinoline-4-carboxylic Acid |
CAS: |
956523-14-1 |
Synonyms: |
(3aR,4S,9bS)-6-methyl-7-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid; (3aR,4S,9bS)-6-methyl-7-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylicacid |
IUPAC Name: | (3aR,4S,9bS)-6-methyl-7-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid |
Description: | (3aR,4S,9bS)-6-Methyl-7-nitro-3a,4,5,9b-tetrahydro-3h-cyclopenta[c]quinoline-4-carboxylic Acid |
Molecular Weight: | 274.27 |
Molecular Formula: | C14H14N2O4 |
Canonical SMILES: | CC1=C(C=CC2=C1NC(C3C2C=CC3)C(=O)O)[N+](=O)[O-] |
InChI: | InChI=1S/C14H14N2O4/c1-7-11(16(19)20)6-5-10-8-3-2-4-9(8)13(14(17)18)15-12(7)10/h2-3,5-6,8-9,13,15H,4H2,1H3,(H,17,18)/t8-,9+,13-/m0/s1 |
InChI Key: | KXGBLGQACSLGDU-RWEMILLDSA-N |
Complexity: | 459 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 3 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 274.09535693 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 274.09535693 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 95.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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