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1015056-80-0 | Pyridine, 4-ethyl-2,3,5-trimethyl-, 1-oxide
CAS No: 1015056-80-0 Catalog No: AG0004NK MDL No:MFCD23135318
Product Description
Catalog Number:
AG0004NK
Chemical Name:
Pyridine, 4-ethyl-2,3,5-trimethyl-, 1-oxide
CAS Number:
1015056-80-0
Molecular Formula:
C10H15NO
Molecular Weight:
165.2322
MDL Number:
MFCD23135318
IUPAC Name:
4-ethyl-2,3,5-trimethyl-1-oxidopyridin-1-ium
InChI:
InChI=1S/C10H15NO/c1-5-10-7(2)6-11(12)9(4)8(10)3/h6H,5H2,1-4H3
InChI Key:
STFQDTFFMMBVGW-UHFFFAOYSA-N
SMILES:
CCc1c(C)c[n+](c(c1C)C)[O-]
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.115g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.236g/mol
Monoisotopic Mass:
165.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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