(3aR,4S,9bS)-6-Cyano-3a,4,5,9b-tetrahydro-3h-cyclopenta[c]quinoline-4-carboxylic Acid - CAS 957033-29-3
Catalog: |
BB062590 |
Product Name: |
(3aR,4S,9bS)-6-Cyano-3a,4,5,9b-tetrahydro-3h-cyclopenta[c]quinoline-4-carboxylic Acid |
CAS: |
957033-29-3 |
Synonyms: |
(3aR,4S,9bS)-6-cyano-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid; (3aR,4S,9bS)-6-cyano-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylicacid |
IUPAC Name: | (3aR,4S,9bS)-6-cyano-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid |
Description: | (3aR,4S,9bS)-6-Cyano-3a,4,5,9b-tetrahydro-3h-cyclopenta[c]quinoline-4-carboxylic Acid |
Molecular Weight: | 240.26 |
Molecular Formula: | C14H12N2O2 |
Canonical SMILES: | C1C=CC2C1C(NC3=C(C=CC=C23)C#N)C(=O)O |
InChI: | InChI=1S/C14H12N2O2/c15-7-8-3-1-5-10-9-4-2-6-11(9)13(14(17)18)16-12(8)10/h1-5,9,11,13,16H,6H2,(H,17,18)/t9-,11-,13+/m1/s1 |
InChI Key: | AKXRGWQPLHQHOZ-XWIASGKRSA-N |
Complexity: | 436 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 3 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 240.08987763 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 240.08987763 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 73.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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