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189094-06-2 | 3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, 1,1-dimethylethyl ester, (3R)-
CAS No: 189094-06-2 Catalog No: AG002HVC MDL No:MFCD07778613
Product Description
Catalog Number:
AG002HVC
Chemical Name:
3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, 1,1-dimethylethyl ester, (3R)-
CAS Number:
189094-06-2
Molecular Formula:
C14H19NO2
Molecular Weight:
233.3062
MDL Number:
MFCD07778613
IUPAC Name:
tert-butyl (3R)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
InChI:
InChI=1S/C14H19NO2/c1-14(2,3)17-13(16)12-8-10-6-4-5-7-11(10)9-15-12/h4-7,12,15H,8-9H2,1-3H3/t12-/m1/s1
InChI Key:
KRSUDBIZXKOKGA-GFCCVEGCSA-N
SMILES:
O=C([C@@H]1NCc2c(C1)cccc2)OC(C)(C)C
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
233.142g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.311g/mol
Monoisotopic Mass:
233.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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