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16503-92-7 | 4-Isoquinolinol, 1,2,3,4-tetrahydro-7,8-dimethoxy-
CAS No: 16503-92-7 Catalog No: AG001V7W MDL No:
Product Description
Catalog Number:
AG001V7W
Chemical Name:
4-Isoquinolinol, 1,2,3,4-tetrahydro-7,8-dimethoxy-
CAS Number:
16503-92-7
Molecular Formula:
C11H15NO3
Molecular Weight:
209.2417
IUPAC Name:
7,8-dimethoxy-1,2,3,4-tetrahydroisoquinolin-4-ol
InChI:
InChI=1S/C11H15NO3/c1-14-10-4-3-7-8(11(10)15-2)5-12-6-9(7)13/h3-4,9,12-13H,5-6H2,1-2H3
InChI Key:
SPFNWFJSDMUDFU-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1OC)CNCC2O
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.105g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
209.245g/mol
Monoisotopic Mass:
209.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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