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Home > Pyridines > 116319-07-4
116319-07-4 | 3-Pyridinol, 2,4,6-trimethyl-, 1-oxide
CAS No: 116319-07-4 Catalog No: AG000C6J MDL No:
Product Description
Catalog Number:
AG000C6J
Chemical Name:
3-Pyridinol, 2,4,6-trimethyl-, 1-oxide
CAS Number:
116319-07-4
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
IUPAC Name:
2,4,6-trimethyl-1-oxidopyridin-1-ium-3-ol
InChI:
InChI=1S/C8H11NO2/c1-5-4-6(2)9(11)7(3)8(5)10/h4,10H,1-3H3
InChI Key:
QYRCBTRQPMFHLQ-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c([n+]1[O-])C)O
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.079g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
153.181g/mol
Monoisotopic Mass:
153.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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