6-methylquinoline-4-carboxylic acid

6-methylquinoline-4-carboxylic acid

CAS: 816448-94-9

Formula: C11H9NO2

SMILES: CC1=CC=C2N=CC=C(C(O)=O)C2=C1

IUPAC: 6-methylquinoline-4-carboxylic acid

InChI: InChI=1S/C11H9NO2/c1-7-2-3-10-9(6-7)8(11(13)14)4-5-12-10/h2-6H,1H3,(H,13,14)

Composition: C (70.58%), H (4.85%), N (7.48%), O (17.09%)

Molar Mass: 187.198

Atom Count: 23

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	187.063328534
Formal Charge	0
FSP3	0.09
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	URMBLJWNBITPCV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.28
Topological Polar Surface Area	50.19
Polarizability	21.04
Ring Count	2
Rotatable Bond Count	1

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