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17447-45-9 | 1-Isoquinolineacetic acid, 1,2,3,4-tetrahydro-6,7-dimethoxy-, ethyl ester, (1S)-
CAS No: 17447-45-9 Catalog No: AG001ZP0 MDL No:MFCD11113226
Product Description
Catalog Number:
AG001ZP0
Chemical Name:
1-Isoquinolineacetic acid, 1,2,3,4-tetrahydro-6,7-dimethoxy-, ethyl ester, (1S)-
CAS Number:
17447-45-9
Molecular Formula:
C15H21NO4
Molecular Weight:
279.3315
MDL Number:
MFCD11113226
IUPAC Name:
ethyl 2-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate
InChI:
InChI=1S/C15H21NO4/c1-4-20-15(17)9-12-11-8-14(19-3)13(18-2)7-10(11)5-6-16-12/h7-8,12,16H,4-6,9H2,1-3H3/t12-/m0/s1
InChI Key:
RLUWHGCQILMZMC-LBPRGKRZSA-N
SMILES:
CCOC(=O)C[C@@H]1NCCc2c1cc(OC)c(c2)OC
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
279.147g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.336g/mol
Monoisotopic Mass:
279.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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