4-methoxy-6-methylquinoline-2-carboxylic acid

4-methoxy-6-methylquinoline-2-carboxylic acid

CAS: 1351825-79-0

Formula: C12H11NO3

SMILES: COC1=CC(=NC2=CC=C(C)C=C12)C(O)=O

IUPAC: 4-methoxy-6-methylquinoline-2-carboxylic acid

InChI: InChI=1S/C12H11NO3/c1-7-3-4-9-8(5-7)11(16-2)6-10(13-9)12(14)15/h3-6H,1-2H3,(H,14,15)

Composition: C (66.35%), H (5.10%), N (6.45%), O (22.10%)

Molar Mass: 217.224

Atom Count: 27

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	217.073893218
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	YQOFMFVCMYKGKS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.37
Topological Polar Surface Area	59.42
Polarizability	23.55
Ring Count	2
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<2 Days	1351825-79-0		$51.35-$1,580.85$51.35$63.37$86.31$235.98$1,119.81$1,580.85