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4-oxo-1H-pyridine-2-carbaldehyde hydrochloride

4-oxo-1H-pyridine-2-carbaldehyde hydrochloride

CAS: 1965309-48-1

Formula: C6H6ClNO2

SMILES: Cl[H].O=CC1=CC(=O)C=CN1

IUPAC: 4-oxo-1,4-dihydropyridine-2-carbaldehyde hydrochloride

InChI: InChI=1S/C6H5NO2.ClH/c8-4-5-3-6(9)1-2-7-5;/h1-4H,(H,7,9);1H

Composition: C (45.16%), H (3.79%), Cl (22.22%), N (8.78%), O (20.05%)

Molar Mass: 159.57

Atom Count: 16

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 159.0087061
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey JPYNNZGDBVOXGE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 34
Topological Polar Surface Area 46.17
Polarizability 11.89
Ring Count 1
Rotatable Bond Count 1

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98.19% <7 Days 1965309-48-1 $98.18-$447.87$98.18$166.43$447.87
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