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179051-22-0 | 3-Piperidinecarboxylic acid, 1-(2-naphthalenylsulfonyl)-
CAS No: 179051-22-0 Catalog No: AG0026Q4 MDL No:MFCD02655857
Product Description
Catalog Number:
AG0026Q4
Chemical Name:
3-Piperidinecarboxylic acid, 1-(2-naphthalenylsulfonyl)-
CAS Number:
179051-22-0
Molecular Formula:
C16H17NO4S
Molecular Weight:
319.3755
MDL Number:
MFCD02655857
IUPAC Name:
1-naphthalen-2-ylsulfonylpiperidine-3-carboxylic acid
InChI:
InChI=1S/C16H17NO4S/c18-16(19)14-6-3-9-17(11-14)22(20,21)15-8-7-12-4-1-2-5-13(12)10-15/h1-2,4-5,7-8,10,14H,3,6,9,11H2,(H,18,19)
InChI Key:
KTQWWYGLWQVHDM-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCN(C1)S(=O)(=O)c1ccc2c(c1)cccc2
Properties
Complexity:
513
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.088g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.375g/mol
Monoisotopic Mass:
319.088g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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