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1810-60-2 | [3,4'-Biisoquinoline]-7,7'-diol, 1,2,3,4-tetrahydro-6,6'-dimethoxy-
CAS No: 1810-60-2 Catalog No: AG0022JO MDL No:
Product Description
Catalog Number:
AG0022JO
Chemical Name:
[3,4'-Biisoquinoline]-7,7'-diol, 1,2,3,4-tetrahydro-6,6'-dimethoxy-
CAS Number:
1810-60-2
Molecular Formula:
C20H20N2O4
Molecular Weight:
352.3838
IUPAC Name:
4-(7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)-6-methoxyisoquinolin-7-ol
InChI:
InChI=1S/C20H20N2O4/c1-25-19-6-11-3-16(22-9-12(11)4-17(19)23)15-10-21-8-13-5-18(24)20(26-2)7-14(13)15/h4-8,10,16,22-24H,3,9H2,1-2H3
InChI Key:
ZDMZBVDPCLWYQL-UHFFFAOYSA-N
SMILES:
COc1cc2CC(NCc2cc1O)c1cncc2c1cc(OC)c(c2)O
NSC Number:
113008
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.142g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
352.39g/mol
Monoisotopic Mass:
352.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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