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824968-82-3 | 1,2-Benzenediol, 3-(3-methyl-1H-pyrazolo[4,3-c]isoquinolin-5-yl)-
CAS No: 824968-82-3 Catalog No: AG008J74 MDL No:
Product Description
Catalog Number:
AG008J74
Chemical Name:
1,2-Benzenediol, 3-(3-methyl-1H-pyrazolo[4,3-c]isoquinolin-5-yl)-
CAS Number:
824968-82-3
Molecular Formula:
C17H13N3O2
Molecular Weight:
291.3040
IUPAC Name:
3-(3-methyl-2H-pyrazolo[4,3-c]isoquinolin-5-yl)benzene-1,2-diol
InChI:
InChI=1S/C17H13N3O2/c1-9-14-16(20-19-9)11-6-3-2-5-10(11)15(18-14)12-7-4-8-13(21)17(12)22/h2-8,21-22H,1H3,(H,19,20)
InChI Key:
FDUQZUMSSUTPPF-UHFFFAOYSA-N
SMILES:
Oc1c(O)cccc1c1nc2c(C)n[nH]c2c2c1cccc2
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.101g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
291.31g/mol
Monoisotopic Mass:
291.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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