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5-methylpyrimidine-2-carbaldehyde

5-methylpyrimidine-2-carbaldehyde

CAS: 90905-62-7

Formula: C6H6N2O

SMILES: CC1=CN=C(C=O)N=C1

IUPAC: 5-methylpyrimidine-2-carbaldehyde

InChI: InChI=1S/C6H6N2O/c1-5-2-7-6(4-9)8-3-5/h2-4H,1H3

Composition: C (59.01%), H (4.95%), N (22.94%), O (13.10%)

Molar Mass: 122.127

Atom Count: 15

Heavy Atom Count: 9

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 122.048012821
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey OBPDHHJZPOGJPO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 34
Topological Polar Surface Area 42.85
Polarizability 12.23
Ring Count 1
Rotatable Bond Count 1

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