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88422-82-6 | Isoquinoline, 1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-
CAS No: 88422-82-6 Catalog No: AG004KG8 MDL No:
Product Description
Catalog Number:
AG004KG8
Chemical Name:
Isoquinoline, 1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-
CAS Number:
88422-82-6
Molecular Formula:
C18H19NO2
Molecular Weight:
281.3490
IUPAC Name:
1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydroisoquinoline
InChI:
InChI=1S/C18H19NO2/c1-20-17-8-7-13(12-18(17)21-2)11-16-15-6-4-3-5-14(15)9-10-19-16/h3-8,12H,9-11H2,1-2H3
InChI Key:
VDGRBMHBPRSLRI-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)CC1=NCCc2c1cccc2
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.142g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.355g/mol
Monoisotopic Mass:
281.142g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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