(3aR,9bS)-4-(3-Nitrophenyl)-3a,4,5,9b-tetrahydro-3h-cyclopenta[c]quinoline-8-carboxylic Acid - CAS 1415814-69-5
Catalog: |
BB076400 |
Product Name: |
(3aR,9bS)-4-(3-Nitrophenyl)-3a,4,5,9b-tetrahydro-3h-cyclopenta[c]quinoline-8-carboxylic Acid |
CAS: |
1415814-69-5 |
Synonyms: |
(3aR,9bS)-4-(3-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid; (3aR,9bS)-4-(3-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylicacid |
IUPAC Name: | (3aR,9bS)-4-(3-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid |
Description: | (3aR,9bS)-4-(3-Nitrophenyl)-3a,4,5,9b-tetrahydro-3h-cyclopenta[c]quinoline-8-carboxylic Acid |
Molecular Weight: | 336.34 |
Molecular Formula: | C19H16N2O4 |
Canonical SMILES: | C1C=CC2C1C(NC3=C2C=C(C=C3)C(=O)O)C4=CC(=CC=C4)[N+](=O)[O-] |
InChI: | InChI=1S/C19H16N2O4/c22-19(23)12-7-8-17-16(10-12)14-5-2-6-15(14)18(20-17)11-3-1-4-13(9-11)21(24)25/h1-5,7-10,14-15,18,20H,6H2,(H,22,23)/t14-,15+,18?/m0/s1 |
InChI Key: | LHSUTBGPVJHKPC-DYNVDGSKSA-N |
Complexity: | 572 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 336.111007 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 336.111007 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 95.2Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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