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20609-07-8 | Pyridine, 2-propyl-, 1-oxide
CAS No: 20609-07-8 Catalog No: AG002AIX MDL No:
Product Description
Catalog Number:
AG002AIX
Chemical Name:
Pyridine, 2-propyl-, 1-oxide
CAS Number:
20609-07-8
Molecular Formula:
C8H11NO
Molecular Weight:
137.1790
IUPAC Name:
1-oxido-2-propylpyridin-1-ium
InChI:
InChI=1S/C8H11NO/c1-2-5-8-6-3-4-7-9(8)10/h3-4,6-7H,2,5H2,1H3
InChI Key:
AEMUJNMHHWNVSA-UHFFFAOYSA-N
SMILES:
CCCc1cccc[n+]1[O-]
EC Number:
243-917-3
Properties
Complexity:
95.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.084g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
137.182g/mol
Monoisotopic Mass:
137.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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