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681477-01-0 | 4,6-Isoquinolinediol, 1,2,3,4-tetrahydro-7-methoxy-1,2-dimethyl- (9CI)
CAS No: 681477-01-0 Catalog No: AG00FTE6 MDL No:
Product Description
Catalog Number:
AG00FTE6
Chemical Name:
4,6-Isoquinolinediol, 1,2,3,4-tetrahydro-7-methoxy-1,2-dimethyl- (9CI)
CAS Number:
681477-01-0
IUPAC Name:
7-methoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinoline-4,6-diol
InChI:
InChI=1S/C12H17NO3/c1-7-8-5-12(16-3)10(14)4-9(8)11(15)6-13(7)2/h4-5,7,11,14-15H,6H2,1-3H3
InChI Key:
QYKJYRWPFATDSA-UHFFFAOYSA-N
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
223.272g/mol
Monoisotopic Mass:
223.121g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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