methyl isoquinoline-4-carboxylate

methyl isoquinoline-4-carboxylate

CAS: 20317-40-2

Formula: C11H9NO2

SMILES: COC(=O)C1=CN=CC2=CC=CC=C12

IUPAC: methyl isoquinoline-4-carboxylate

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

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	2
Hydrogen Bond Donor Count	0
InChIKey	GOMAQBGRXCIEBF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.38
Topological Polar Surface Area	39.19
Polarizability	21.37
Ring Count	2
Rotatable Bond Count	2

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