8-methoxyisoquinoline-5-carboxylic acid

8-methoxyisoquinoline-5-carboxylic acid

Formula: C11H9NO3

SMILES: COC1=C2C=NC=CC2=C(C=C1)C(O)=O

IUPAC: 8-methoxyisoquinoline-5-carboxylic acid

InChI: InChI=1S/C11H9NO3/c1-15-10-3-2-8(11(13)14)7-4-5-12-6-9(7)10/h2-6H,1H3,(H,13,14)

Composition: C (65.02%), H (4.46%), N (6.89%), O (23.62%)

Molar Mass: 203.197

Atom Count: 24

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	203.058243154
Formal Charge	0
FSP3	0.09
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	VDXVGXCEYCLCAA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.07
Topological Polar Surface Area	59.42
Polarizability	21.78
Ring Count	2
Rotatable Bond Count	2

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C11H9NO3		Quote Only