(3aR,4S,9bS)-3a,4,5,9b-Tetrahydro-3h-cyclopenta[c]quinoline-4,8-dicarboxylic Acid - CAS 1415811-74-3
Catalog: |
BB076759 |
Product Name: |
(3aR,4S,9bS)-3a,4,5,9b-Tetrahydro-3h-cyclopenta[c]quinoline-4,8-dicarboxylic Acid |
CAS: |
1415811-74-3 |
Synonyms: |
(3aR,4S,9bS)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4,8-dicarboxylic acid; (3aR,4S,9bS)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4,8-dicarboxylicacid |
IUPAC Name: | (3aR,4S,9bS)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4,8-dicarboxylic acid |
Description: | (3aR,4S,9bS)-3a,4,5,9b-Tetrahydro-3h-cyclopenta[c]quinoline-4,8-dicarboxylic Acid |
Molecular Weight: | 259.26 |
Molecular Formula: | C14H13NO4 |
Canonical SMILES: | C1C=CC2C1C(NC3=C2C=C(C=C3)C(=O)O)C(=O)O |
InChI: | InChI=1S/C14H13NO4/c16-13(17)7-4-5-11-10(6-7)8-2-1-3-9(8)12(15-11)14(18)19/h1-2,4-6,8-9,12,15H,3H2,(H,16,17)(H,18,19)/t8-,9+,12-/m0/s1 |
InChI Key: | RKSORIGFRQYENG-SBMIAAHKSA-N |
Complexity: | 433 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 3 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 259.0844579 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 259.0844579 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 86.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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