methyl 6-acetylpyridine-3-carboxylate

methyl 6-acetylpyridine-3-carboxylate

CAS: 153559-93-4

Formula: C9H9NO3

SMILES: COC(=O)C1=CC=C(N=C1)C(C)=O

IUPAC: methyl 6-acetylpyridine-3-carboxylate

InChI: InChI=1S/C9H9NO3/c1-6(11)8-4-3-7(5-10-8)9(12)13-2/h3-5H,1-2H3

Composition: C (60.33%), H (5.06%), N (7.82%), O (26.79%)

Molar Mass: 179.175

Atom Count: 22

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	179.058243154
Formal Charge	0
FSP3	0.22
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	GORGQDZBRJIMDB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.96
Topological Polar Surface Area	56.26
Polarizability	17.63
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	153559-93-4		$379.56-$907.92$379.56$907.92