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139560-06-8 | Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-4-phenyl-, (S)- (9CI)
CAS No: 139560-06-8 Catalog No: AG001BA9 MDL No:
Product Description
Catalog Number:
AG001BA9
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-4-phenyl-, (S)- (9CI)
CAS Number:
139560-06-8
Molecular Formula:
C17H19NO2
Molecular Weight:
269.3383
IUPAC Name:
6,7-dimethoxy-4-phenyl-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C17H19NO2/c1-19-16-8-13-10-18-11-15(12-6-4-3-5-7-12)14(13)9-17(16)20-2/h3-9,15,18H,10-11H2,1-2H3
InChI Key:
VNEDJZCVRIKACP-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OC)CNC[C@H]2c1ccccc1
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.142g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.344g/mol
Monoisotopic Mass:
269.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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