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1-(pyrimidin-5-yl)propan-2-one

1-(pyrimidin-5-yl)propan-2-one

CAS: 352546-48-6

Formula: C7H8N2O

SMILES: CC(=O)CC1=CN=CN=C1

IUPAC: 1-(pyrimidin-5-yl)propan-2-one

InChI: InChI=1S/C7H8N2O/c1-6(10)2-7-3-8-5-9-4-7/h3-5H,2H2,1H3

Composition: C (61.75%), H (5.92%), N (20.58%), O (11.75%)

Molar Mass: 136.154

Atom Count: 18

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 136.063662886
Formal Charge 0
FSP3 0.29
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey PZVZIRMBIYZYDC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 37.58
Topological Polar Surface Area 42.85
Polarizability 14.14
Ring Count 1
Rotatable Bond Count 2

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