1-(2-oxopropyl)pyridin-1-ium chloride

1-(2-oxopropyl)pyridin-1-ium chloride

CAS: 42508-60-1

Formula: C8H10ClNO

SMILES: [Cl-].CC(=O)C[N+]1=CC=CC=C1

IUPAC: 1-(2-oxopropyl)pyridin-1-ium chloride

InChI: InChI=1S/C8H10NO.ClH/c1-8(10)7-9-5-3-2-4-6-9;/h2-6H,7H2,1H3;1H/q+1;/p-1

Composition: C (55.99%), H (5.87%), Cl (20.66%), N (8.16%), O (9.32%)

Molar Mass: 171.62

Atom Count: 21

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	171.0450916
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	JHYYWKUENNZTMD-UHFFFAOYSA-M
Lipinski's Rule of Five	1
Molar Refractivity	39.69
Topological Polar Surface Area	20.95
Polarizability	15.26
Ring Count	1
Rotatable Bond Count	2

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