methyl 7-methylisoquinoline-1-carboxylate

methyl 7-methylisoquinoline-1-carboxylate

Formula: C12H11NO2

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

IUPAC: methyl 7-methylisoquinoline-1-carboxylate

InChI: InChI=1S/C12H11NO2/c1-8-3-4-9-5-6-13-11(10(9)7-8)12(14)15-2/h3-7H,1-2H3

Composition: C (71.63%), H (5.51%), N (6.96%), O (15.90%)

Molar Mass: 201.225

Atom Count: 26

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	201.078978598
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	XOCAVISOOIRSQW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.05
Topological Polar Surface Area	39.19
Polarizability	23.15
Ring Count	2
Rotatable Bond Count	2

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Molecule Market Select

Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C12H11NO2		Quote Only