(3Ar,4s,9bs)-6-hydroxy-3a,4,5,9b-tetrahydro-3h-cyclopenta[c]quinoline-4-carboxylic acid - CAS 1415811-61-8
Catalog: |
BB074303 |
Product Name: |
(3Ar,4s,9bs)-6-hydroxy-3a,4,5,9b-tetrahydro-3h-cyclopenta[c]quinoline-4-carboxylic acid |
CAS: |
1415811-61-8 |
Synonyms: |
(3aR,4S,9bS)-6-hydroxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid; (3aR,4S,9bS)-6-hydroxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylicacid |
IUPAC Name: | (3aR,4S,9bS)-6-hydroxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid |
Description: | (3Ar,4s,9bs)-6-hydroxy-3a,4,5,9b-tetrahydro-3h-cyclopenta[c]quinoline-4-carboxylic acid |
Molecular Weight: | 231.25 |
Molecular Formula: | C13H13NO3 |
Canonical SMILES: | C1C=CC2C1C(NC3=C2C=CC=C3O)C(=O)O |
InChI: | InChI=1S/C13H13NO3/c15-10-6-2-5-8-7-3-1-4-9(7)12(13(16)17)14-11(8)10/h1-3,5-7,9,12,14-15H,4H2,(H,16,17)/t7-,9-,12+/m1/s1 |
InChI Key: | VQPJWSZWDZNVOJ-GMEUVTARSA-N |
Complexity: | 355 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 3 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 231.08954328 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 231.08954328 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 69.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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