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88184-92-3 | Piperidine, 1-[[4-(dihydroxymethyl)-3-pyridinyl]sulfonyl]-
CAS No: 88184-92-3 Catalog No: AG004CDU MDL No:
Product Description
Catalog Number:
AG004CDU
Chemical Name:
Piperidine, 1-[[4-(dihydroxymethyl)-3-pyridinyl]sulfonyl]-
CAS Number:
88184-92-3
Molecular Formula:
C11H16N2O4S
Molecular Weight:
272.3207
IUPAC Name:
(3-piperidin-1-ylsulfonylpyridin-4-yl)methanediol
InChI:
InChI=1S/C11H16N2O4S/c14-11(15)9-4-5-12-8-10(9)18(16,17)13-6-2-1-3-7-13/h4-5,8,11,14-15H,1-3,6-7H2
InChI Key:
DQODLPZXQHHLEY-UHFFFAOYSA-N
SMILES:
OC(c1ccncc1S(=O)(=O)N1CCCCC1)O
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.083g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
272.319g/mol
Monoisotopic Mass:
272.083g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
99.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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