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88307-75-9 | Phenol, 2-methoxy-6-(1,2,3,4-tetrahydro-6,7-dimethoxy-1-isoquinolinyl)-
CAS No: 88307-75-9 Catalog No: AG0048N1 MDL No:
Product Description
Catalog Number:
AG0048N1
Chemical Name:
Phenol, 2-methoxy-6-(1,2,3,4-tetrahydro-6,7-dimethoxy-1-isoquinolinyl)-
CAS Number:
88307-75-9
Molecular Formula:
C18H21NO4
Molecular Weight:
315.3636
IUPAC Name:
2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-methoxyphenol
InChI:
InChI=1S/C18H21NO4/c1-21-14-6-4-5-12(18(14)20)17-13-10-16(23-3)15(22-2)9-11(13)7-8-19-17/h4-6,9-10,17,19-20H,7-8H2,1-3H3
InChI Key:
ZDGMSHXREFSHRS-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OC)CCNC2c1cccc(c1O)OC
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.147g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
315.369g/mol
Monoisotopic Mass:
315.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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