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

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

CAS: 57060-86-3

Formula: C11H13NO2

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

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

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

Composition: C (69.09%), H (6.85%), N (7.32%), O (16.73%)

Molar Mass: 191.23

Atom Count: 27

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 191.094628663
Formal Charge 0
FSP3 0.36
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey YTNGWXICCHJHKA-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.21
Topological Polar Surface Area 38.33
Polarizability 21.09
Ring Count 2
Rotatable Bond Count 2

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