(3aR,4S,9bS)-6-Ethyl-3a,4,5,9b-tetrahydro-3h-cyclopenta[c]quinoline-4-carboxylic Acid - CAS 956270-78-3
Catalog: |
BB065518 |
Product Name: |
(3aR,4S,9bS)-6-Ethyl-3a,4,5,9b-tetrahydro-3h-cyclopenta[c]quinoline-4-carboxylic Acid |
CAS: |
956270-78-3 |
Synonyms: |
(3aR,4S,9bS)-6-ethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid; (3aR,4S,9bS)-6-ethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylicacid |
IUPAC Name: | (3aR,4S,9bS)-6-ethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid |
Description: | (3aR,4S,9bS)-6-Ethyl-3a,4,5,9b-tetrahydro-3h-cyclopenta[c]quinoline-4-carboxylic Acid |
Molecular Weight: | 243.3 |
Molecular Formula: | C15H17NO2 |
Canonical SMILES: | CCC1=C2C(=CC=C1)C3C=CCC3C(N2)C(=O)O |
InChI: | InChI=1S/C15H17NO2/c1-2-9-5-3-7-11-10-6-4-8-12(10)14(15(17)18)16-13(9)11/h3-7,10,12,14,16H,2,8H2,1H3,(H,17,18)/t10-,12-,14+/m1/s1 |
InChI Key: | YBYRARMSNPLHJJ-QKCSRTOESA-N |
Complexity: | 366 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 3 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 243.125928785 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 243.125928785 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 49.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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