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1796-86-7 | Pyridine, 3,4-dimethyl-, 1-oxide
CAS No: 1796-86-7 Catalog No: AG01DNC4 MDL No:MFCD04971487
Product Description
Catalog Number:
AG01DNC4
Chemical Name:
Pyridine, 3,4-dimethyl-, 1-oxide
CAS Number:
1796-86-7
MDL Number:
MFCD04971487
IUPAC Name:
3,4-dimethyl-1-oxidopyridin-1-ium
InChI:
InChI=1S/C7H9NO/c1-6-3-4-8(9)5-7(6)2/h3-5H,1-2H3
InChI Key:
LYFNWGOUBVRWRG-UHFFFAOYSA-N
NSC Number:
187489
Properties
Complexity:
94.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
123.068g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
123.155g/mol
Monoisotopic Mass:
123.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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