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259183-94-3 | 6,7-Isoquinolinediol, 1-[(1S)-1,2-dihydroxyethyl]-1,2,3,4-tetrahydro- (9CI)
CAS No: 259183-94-3 Catalog No: AG00BUVX MDL No:
Product Description
Catalog Number:
AG00BUVX
Chemical Name:
6,7-Isoquinolinediol, 1-[(1S)-1,2-dihydroxyethyl]-1,2,3,4-tetrahydro- (9CI)
CAS Number:
259183-94-3
IUPAC Name:
(1S)-1-(1,2-dihydroxyethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
InChI:
InChI=1S/C11H15NO4/c13-5-10(16)11-7-4-9(15)8(14)3-6(7)1-2-12-11/h3-4,10-16H,1-2,5H2/t10?,11-/m0/s1
InChI Key:
GFVZBRAVECCWAG-DTIOYNMSSA-N
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
225.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
225.244g/mol
Monoisotopic Mass:
225.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
93A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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