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

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

CAS: 128073-39-2

Formula: C12H16ClNO3

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

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

InChI: InChI=1/C12H15NO3.ClH/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;1H

Composition: C (55.93%), H (6.26%), Cl (13.76%), N (5.44%), O (18.62%)

Molar Mass: 257.71

Atom Count: 33

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 257.0818711
Formal Charge 0
FSP3 0.42
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey CLCLUOFAUVWDIB-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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