2,4-dimethyl 5-hydroxyquinoline-2,4-dicarboxylate

2,4-dimethyl 5-hydroxyquinoline-2,4-dicarboxylate

CAS: 1260804-95-2

Formula: C13H11NO5

SMILES: COC(=O)C1=CC(C(=O)OC)=C2C(O)=CC=CC2=N1

IUPAC: 2,4-dimethyl 5-hydroxyquinoline-2,4-dicarboxylate

InChI: InChI=1S/C13H11NO5/c1-18-12(16)7-6-9(13(17)19-2)14-8-4-3-5-10(15)11(7)8/h3-6,15H,1-2H3

Composition: C (59.77%), H (4.24%), N (5.36%), O (30.62%)

Molar Mass: 261.233

Atom Count: 30

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	261.063722458
Formal Charge	0
FSP3	0.15
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	LJOAZLRDGNIVSZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.64
Topological Polar Surface Area	85.72
Polarizability	26.43
Ring Count	2
Rotatable Bond Count	4

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