methyl 6-acetylquinoline-3-carboxylate

methyl 6-acetylquinoline-3-carboxylate

CAS: 1956318-19-6

Formula: C13H11NO3

SMILES: COC(=O)C1=CC2=CC(=CC=C2N=C1)C(C)=O

IUPAC: methyl 6-acetylquinoline-3-carboxylate

InChI: InChI=1S/C13H11NO3/c1-8(15)9-3-4-12-10(5-9)6-11(7-14-12)13(16)17-2/h3-7H,1-2H3

Composition: C (68.11%), H (4.84%), N (6.11%), O (20.94%)

Molar Mass: 229.235

Atom Count: 28

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	229.073893218
Formal Charge	0
FSP3	0.15
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	LOGQOLSIXJZVDZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.41
Topological Polar Surface Area	56.26
Polarizability	25.1
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	1956318-19-6		$344.25-$514.49$344.25$514.49