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70475-63-7 | 1-Isoquinolinemethanol, 1,2,3,4-tetrahydro-5-hydroxy-6,7-dimethoxy-2-methyl-, (-)-
CAS No: 70475-63-7 Catalog No: AG00685B MDL No:
Product Description
Catalog Number:
AG00685B
Chemical Name:
1-Isoquinolinemethanol, 1,2,3,4-tetrahydro-5-hydroxy-6,7-dimethoxy-2-methyl-, (-)-
CAS Number:
70475-63-7
Molecular Formula:
C13H19NO4
Molecular Weight:
253.2943
IUPAC Name:
1-(hydroxymethyl)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol
InChI:
InChI=1S/C13H19NO4/c1-14-5-4-8-9(10(14)7-15)6-11(17-2)13(18-3)12(8)16/h6,10,15-16H,4-5,7H2,1-3H3
InChI Key:
CGNTUKTXUKHAEG-UHFFFAOYSA-N
SMILES:
OCC1N(C)CCc2c1cc(OC)c(c2O)OC
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.131g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
253.298g/mol
Monoisotopic Mass:
253.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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