(3aR,4S,9bS)-8-Chloro-6-methyl-3a,4,5,9b-tetrahydro-3h-cyclopenta[c]quinoline-4-carboxylic Acid - CAS 956629-74-6
Catalog: |
BB070003 |
Product Name: |
(3aR,4S,9bS)-8-Chloro-6-methyl-3a,4,5,9b-tetrahydro-3h-cyclopenta[c]quinoline-4-carboxylic Acid |
CAS: |
956629-74-6 |
Synonyms: |
(3aR,4S,9bS)-8-chloro-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid; (3aR,4S,9bS)-8-chloro-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylicacid |
IUPAC Name: | (3aR,4S,9bS)-8-chloro-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid |
Description: | (3aR,4S,9bS)-8-Chloro-6-methyl-3a,4,5,9b-tetrahydro-3h-cyclopenta[c]quinoline-4-carboxylic Acid |
Molecular Weight: | 263.72 |
Molecular Formula: | C14H14ClNO2 |
Canonical SMILES: | CC1=CC(=CC2=C1NC(C3C2C=CC3)C(=O)O)Cl |
InChI: | InChI=1S/C14H14ClNO2/c1-7-5-8(15)6-11-9-3-2-4-10(9)13(14(17)18)16-12(7)11/h2-3,5-6,9-10,13,16H,4H2,1H3,(H,17,18)/t9-,10+,13-/m0/s1 |
InChI Key: | QGBJKSXGAYOVCU-CWSCBRNRSA-N |
Complexity: | 384 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 3 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 263.0713064 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 263.0713064 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 49.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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