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88443-00-9 | 3,4-Isoquinolinediol, 1,2,3,4-tetrahydro-
CAS No: 88443-00-9 Catalog No: AG004JKC MDL No:
Product Description
Catalog Number:
AG004JKC
Chemical Name:
3,4-Isoquinolinediol, 1,2,3,4-tetrahydro-
CAS Number:
88443-00-9
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
IUPAC Name:
1,2,3,4-tetrahydroisoquinoline-3,4-diol
InChI:
InChI=1S/C9H11NO2/c11-8-7-4-2-1-3-6(7)5-10-9(8)12/h1-4,8-12H,5H2
InChI Key:
HGWQBCAQJVTORN-UHFFFAOYSA-N
SMILES:
OC1NCc2c(C1O)cccc2
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
165.192g/mol
Monoisotopic Mass:
165.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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