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85-65-4 | 6-Isoquinolinol,1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-7-methoxy-2-methyl- (9CI)
CAS No: 85-65-4 Catalog No: AG004TH9 MDL No:
Product Description
Catalog Number:
AG004TH9
Chemical Name:
6-Isoquinolinol,1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-7-methoxy-2-methyl- (9CI)
CAS Number:
85-65-4
Molecular Formula:
C20H25NO4
Molecular Weight:
343.4168
IUPAC Name:
1-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol
InChI:
InChI=1S/C20H25NO4/c1-21-8-7-14-11-17(22)19(24-3)12-15(14)16(21)9-13-5-6-18(23-2)20(10-13)25-4/h5-6,10-12,16,22H,7-9H2,1-4H3
InChI Key:
MOHQPHOGSYSNPJ-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)CC1N(C)CCc2c1cc(OC)c(c2)O
NSC Number:
123411
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.178g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
343.423g/mol
Monoisotopic Mass:
343.178g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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