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28003-40-9 | Isoquinoline, 1,2,3,4-tetrahydro-1-[(3,4,5-trimethoxyphenyl)methyl]-
CAS No: 28003-40-9 Catalog No: AG007LUJ MDL No:
Product Description
Catalog Number:
AG007LUJ
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-1-[(3,4,5-trimethoxyphenyl)methyl]-
CAS Number:
28003-40-9
Molecular Formula:
C19H23NO3
Molecular Weight:
313.3908
IUPAC Name:
1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C19H23NO3/c1-21-17-11-13(12-18(22-2)19(17)23-3)10-16-15-7-5-4-6-14(15)8-9-20-16/h4-7,11-12,16,20H,8-10H2,1-3H3
InChI Key:
INXSAGVVEUEREF-UHFFFAOYSA-N
SMILES:
COc1cc(CC2NCCc3c2cccc3)cc(c1OC)OC
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.168g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
313.397g/mol
Monoisotopic Mass:
313.168g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
39.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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