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147636-36-0 | 4-Piperidinecarboxylic acid, 1-[(4-methylphenyl)sulfonyl]-
CAS No: 147636-36-0 Catalog No: AG001F1Q MDL No:MFCD00723645
Product Description
Catalog Number:
AG001F1Q
Chemical Name:
4-Piperidinecarboxylic acid, 1-[(4-methylphenyl)sulfonyl]-
CAS Number:
147636-36-0
Molecular Formula:
C13H17NO4S
Molecular Weight:
283.3434
MDL Number:
MFCD00723645
IUPAC Name:
1-(4-methylphenyl)sulfonylpiperidine-4-carboxylic acid
InChI:
InChI=1S/C13H17NO4S/c1-10-2-4-12(5-3-10)19(17,18)14-8-6-11(7-9-14)13(15)16/h2-5,11H,6-9H2,1H3,(H,15,16)
InChI Key:
YJRQMKSUAIKDDF-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.088g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.342g/mol
Monoisotopic Mass:
283.088g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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