ethyl 6-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate

ethyl 6-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate

CAS: 134388-85-5

Formula: C12H15NO3

SMILES: CCOC(=O)C1CC2=CC(O)=CC=C2CN1

IUPAC: ethyl 6-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate

InChI: InChI=1/C12H15NO3/c1-2-16-12(15)11-6-9-5-10(14)4-3-8(9)7-13-11/h3-5,11,13-14H,2,6-7H2,1H3

Composition: C (65.14%), H (6.83%), N (6.33%), O (21.69%)

Molar Mass: 221.256

Atom Count: 31

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	221.105193347
Formal Charge	0
FSP3	0.42
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	GVLQCKKJTOBRSK-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.94
Topological Polar Surface Area	58.56
Polarizability	23.54
Ring Count	2
Rotatable Bond Count	3

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