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29419-54-3 | Pyridine, 3-(1-methyl-1-oxido-2-pyrrolidinyl)-, (1R-cis)- (9CI)
CAS No: 29419-54-3 Catalog No: AG002YB3 MDL No:
Product Description
Catalog Number:
AG002YB3
Chemical Name:
Pyridine, 3-(1-methyl-1-oxido-2-pyrrolidinyl)-, (1R-cis)- (9CI)
CAS Number:
29419-54-3
Molecular Formula:
C10H14N2O
Molecular Weight:
178.2310
IUPAC Name:
3-(1-hydroxy-1-methylpyrrolidin-1-ium-5-id-2-yl)pyridine
InChI:
InChI=1S/C10H14N2O/c1-12(13)7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6-8,10,13H,3,5H2,1H3
InChI Key:
BASXBFGOKNFJAM-UHFFFAOYSA-N
SMILES:
C[N+]1(O)[CH-]CCC1c1cccnc1
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.111g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.235g/mol
Monoisotopic Mass:
178.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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