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10252-83-2 | Benzoic acid, 4-(1-piperidinylsulfonyl)-
CAS No: 10252-83-2 Catalog No: AG0007NJ MDL No:MFCD01033230
Product Description
Catalog Number:
AG0007NJ
Chemical Name:
Benzoic acid, 4-(1-piperidinylsulfonyl)-
CAS Number:
10252-83-2
Molecular Formula:
C12H15NO4S
Molecular Weight:
269.3168
MDL Number:
MFCD01033230
IUPAC Name:
4-piperidin-1-ylsulfonylbenzoic acid
InChI:
InChI=1S/C12H15NO4S/c14-12(15)10-4-6-11(7-5-10)18(16,17)13-8-2-1-3-9-13/h4-7H,1-3,8-9H2,(H,14,15)
InChI Key:
UQNINMUUJYRESG-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)S(=O)(=O)N1CCCCC1
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.072g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.315g/mol
Monoisotopic Mass:
269.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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