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3-methylpyridine-4-carbaldehyde

3-methylpyridine-4-carbaldehyde

CAS: 74663-96-0

Formula: C7H7NO

SMILES: CC1=CN=CC=C1C=O

IUPAC: 3-methylpyridine-4-carbaldehyde

InChI: InChI=1S/C7H7NO/c1-6-4-8-3-2-7(6)5-9/h2-5H,1H3

Composition: C (69.41%), H (5.82%), N (11.56%), O (13.21%)

Molar Mass: 121.139

Atom Count: 16

Heavy Atom Count: 9

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 121.052763849
Formal Charge 0
FSP3 0.14
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey JFFOBFAGCSLMSV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 35.53
Topological Polar Surface Area 29.96
Polarizability 13.09
Ring Count 1
Rotatable Bond Count 1

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