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139486-47-8

139486-47-8 | Pyridinium, 1-(1-pyrrolidinylcarbonyl)-, chloride (1:1)

CAS No: 139486-47-8 Catalog No: AG001B42 MDL No:

Product Description

Catalog Number:
AG001B42
Chemical Name:
Pyridinium, 1-(1-pyrrolidinylcarbonyl)-, chloride (1:1)
CAS Number:
139486-47-8
Molecular Formula:
C10H13ClN2O
Molecular Weight:
212.6760
IUPAC Name:
pyridin-1-ium-1-yl(pyrrolidin-1-yl)methanone;chloride
InChI:
InChI=1S/C10H13N2O.ClH/c13-10(12-8-4-5-9-12)11-6-2-1-3-7-11;/h1-3,6-7H,4-5,8-9H2;1H/q+1;/p-1
InChI Key:
TTWCDFJTYXKJGU-UHFFFAOYSA-M
SMILES:
O=C([n+]1ccccc1)N1CCCC1.[Cl-]

Properties

Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.072g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.677g/mol
Monoisotopic Mass:
212.072g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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