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Home > Quinoline > 739320-29-7
739320-29-7 | 7H-Cyclopent[h]isoquinoline-5,6-diol, 8,9-dihydro- (9CI)
CAS No: 739320-29-7 Catalog No: AG005IX3 MDL No:
Product Description
Catalog Number:
AG005IX3
Chemical Name:
7H-Cyclopent[h]isoquinoline-5,6-diol, 8,9-dihydro- (9CI)
CAS Number:
739320-29-7
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
IUPAC Name:
8,9-dihydro-7H-cyclopenta[h]isoquinoline-5,6-diol
InChI:
InChI=1S/C12H11NO2/c14-11-8-3-1-2-7(8)10-6-13-5-4-9(10)12(11)15/h4-6,14-15H,1-3H2
InChI Key:
WQLOIUMMXSEOBJ-UHFFFAOYSA-N
SMILES:
Oc1c(O)c2CCCc2c2c1ccnc2
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
201.225g/mol
Monoisotopic Mass:
201.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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