(3aR,4S,9bS)-3a,4,5,9b-Tetrahydro-3h-cyclopenta[c]quinoline-4-carboxylic Acid - CAS 1415811-43-6
Catalog: |
BB076760 |
Product Name: |
(3aR,4S,9bS)-3a,4,5,9b-Tetrahydro-3h-cyclopenta[c]quinoline-4-carboxylic Acid |
CAS: |
1415811-43-6 |
Synonyms: |
(3AR,4S,9BS)-3A,4,5,9B-TETRAHYDRO-3H-CYCLOPENTA[C]QUINOLINE-4-CARBOXYLIC ACID; (3AR,4S,9BS)-3A,4,5,9B-TETRAHYDRO-3H-CYCLOPENTA[C]QUINOLINE-4-CARBOXYLICACID |
IUPAC Name: | (3aR,4S,9bS)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid |
Description: | (3aR,4S,9bS)-3a,4,5,9b-Tetrahydro-3h-cyclopenta[c]quinoline-4-carboxylic Acid |
Molecular Weight: | 215.25 |
Molecular Formula: | C13H13NO2 |
Canonical SMILES: | C1C=CC2C1C(NC3=CC=CC=C23)C(=O)O |
InChI: | InChI=1S/C13H13NO2/c15-13(16)12-10-6-3-5-8(10)9-4-1-2-7-11(9)14-12/h1-5,7-8,10,12,14H,6H2,(H,15,16)/t8-,10-,12+/m1/s1 |
InChI Key: | WRJCENKZISEXPF-UISBYWKRSA-N |
Complexity: | 326 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 3 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 215.094628657 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.094628657 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 49.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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