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674791-75-4 | 4-Piperidinecarboxylic acid, 4-cyclohexyl-, 4-methylbenzenesulfonate
CAS No: 674791-75-4 Catalog No: AG006G8S MDL No:
Product Description
Catalog Number:
AG006G8S
Chemical Name:
4-Piperidinecarboxylic acid, 4-cyclohexyl-, 4-methylbenzenesulfonate
CAS Number:
674791-75-4
Molecular Formula:
C19H29NO5S
Molecular Weight:
383.5023
IUPAC Name:
4-cyclohexylpiperidine-4-carboxylic acid;4-methylbenzenesulfonic acid
InChI:
InChI=1S/C12H21NO2.C7H8O3S/c14-11(15)12(6-8-13-9-7-12)10-4-2-1-3-5-10;1-6-2-4-7(5-3-6)11(8,9)10/h10,13H,1-9H2,(H,14,15);2-5H,1H3,(H,8,9,10)
InChI Key:
WPULCNBYZGYPSH-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CCNCC1)C1CCCCC1.Cc1ccc(cc1)S(=O)(=O)O
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.177g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
383.503g/mol
Monoisotopic Mass:
383.177g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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