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Home > Pyridines > 116599-47-4
116599-47-4 | 1-(2-Hydroxycyclohexyl)pyridinium perchlorate
CAS No: 116599-47-4 Catalog No: AG01EQUA MDL No:MFCD00956671
Product Description
Catalog Number:
AG01EQUA
Chemical Name:
1-(2-Hydroxycyclohexyl)pyridinium perchlorate
CAS Number:
116599-47-4
Molecular Formula:
C11H16ClNO5
Molecular Weight:
277.7014
MDL Number:
MFCD00956671
IUPAC Name:
2-pyridin-1-ium-1-ylcyclohexan-1-ol;perchlorate
InChI:
InChI=1S/C11H16NO.ClHO4/c13-11-7-3-2-6-10(11)12-8-4-1-5-9-12;2-1(3,4)5/h1,4-5,8-11,13H,2-3,6-7H2;(H,2,3,4,5)/q+1;/p-1
InChI Key:
QXJHPZHBWURIAN-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.OC1CCCCC1[n+]1ccccc1
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.072g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.701g/mol
Monoisotopic Mass:
277.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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