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143540-80-1 | Isoquinoline, 3,4-dihydro-1-(3,4,5-trimethoxyphenyl)-
CAS No: 143540-80-1 Catalog No: AG007JZ0 MDL No:
Product Description
Catalog Number:
AG007JZ0
Chemical Name:
Isoquinoline, 3,4-dihydro-1-(3,4,5-trimethoxyphenyl)-
CAS Number:
143540-80-1
Molecular Formula:
C18H19NO3
Molecular Weight:
297.3484
IUPAC Name:
1-(3,4,5-trimethoxyphenyl)-3,4-dihydroisoquinoline
InChI:
InChI=1S/C18H19NO3/c1-20-15-10-13(11-16(21-2)18(15)22-3)17-14-7-5-4-6-12(14)8-9-19-17/h4-7,10-11H,8-9H2,1-3H3
InChI Key:
MKVACXBGKQFAJL-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)OC)C1=NCCc2c1cccc2
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.136g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.354g/mol
Monoisotopic Mass:
297.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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