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tert-butyl 7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate

tert-butyl 7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate

CAS: 188576-49-0

Formula: C14H19NO3

SMILES: CC(C)(C)OC(=O)N1CCC2=C(C1)C=C(O)C=C2

IUPAC: tert-butyl 7-hydroxy-1,2,3,4-tetrahydroisoquinoline-2-carboxylate

InChI: InChI=1S/C14H19NO3/c1-14(2,3)18-13(17)15-7-6-10-4-5-12(16)8-11(10)9-15/h4-5,8,16H,6-7,9H2,1-3H3

Composition: C (67.45%), H (7.68%), N (5.62%), O (19.25%)

Molar Mass: 249.31

Atom Count: 37

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 249.136493476
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey SVWCQVGJRNYYBX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.59
Topological Polar Surface Area 49.77
Polarizability 26.83
Ring Count 2
Rotatable Bond Count 2

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