1-Methanesulfonyl-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid - CAS 852916-95-1
Catalog: |
BB060223 |
Product Name: |
1-Methanesulfonyl-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid |
CAS: |
852916-95-1 |
Synonyms: |
1-(methylsulfonyl)-1,2,3,4-tetrahydroquinoline-6-carboxylic acid; 1-Methanesulfonyl-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid; 1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylic acid; 1-methanesulfonyl-1,2,3,4-tetrahydroquinoline-6-carboxylic acid |
IUPAC Name: | 1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylic acid |
Description: | 1-Methanesulfonyl-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid |
Molecular Weight: | 255.29 |
Molecular Formula: | C11H13NO4S |
Canonical SMILES: | CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)O |
InChI: | InChI=1S/C11H13NO4S/c1-17(15,16)12-6-2-3-8-7-9(11(13)14)4-5-10(8)12/h4-5,7H,2-3,6H2,1H3,(H,13,14) |
InChI Key: | NIVCCCWZONRAOW-UHFFFAOYSA-N |
Complexity: | 400 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 255.05652907 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 255.05652907 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 83.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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