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methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate hydrochloride

methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate hydrochloride

CAS: 220247-69-8

Formula: C11H14ClNO2

SMILES: Cl.COC(=O)C1=CC=C2CCNCC2=C1

IUPAC: methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate hydrochloride

InChI: InChI=1S/C11H13NO2.ClH/c1-14-11(13)9-3-2-8-4-5-12-7-10(8)6-9;/h2-3,6,12H,4-5,7H2,1H3;1H

Composition: C (58.03%), H (6.20%), Cl (15.57%), N (6.15%), O (14.05%)

Molar Mass: 227.69

Atom Count: 29

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 227.0713064
Formal Charge 0
FSP3 0.36
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey PUEZJQKDZBXXMM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.64
Topological Polar Surface Area 38.33
Polarizability 20.98
Ring Count 2
Rotatable Bond Count 2

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