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Home > Pyridines > 182129-27-7
182129-27-7 | Pyridine, 2,3,4,5-tetrahydro-2,6-dimethyl-, 1-oxide
CAS No: 182129-27-7 Catalog No: AG0023EB MDL No:
Product Description
Catalog Number:
AG0023EB
Chemical Name:
Pyridine, 2,3,4,5-tetrahydro-2,6-dimethyl-, 1-oxide
CAS Number:
182129-27-7
Molecular Formula:
C7H13NO
Molecular Weight:
127.1842
IUPAC Name:
2,6-dimethyl-1-oxido-2,3,4,5-tetrahydropyridin-1-ium
InChI:
InChI=1S/C7H13NO/c1-6-4-3-5-7(2)8(6)9/h6H,3-5H2,1-2H3
InChI Key:
GBTLQTIRJFYWMZ-UHFFFAOYSA-N
SMILES:
[O-][N+]1=C(C)CCCC1C
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.1g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
127.187g/mol
Monoisotopic Mass:
127.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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