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756900-91-1 | 1,2-Benzenediol, 3-(2-quinolinyl)-
CAS No: 756900-91-1 Catalog No: AG005IUE MDL No:
Product Description
Catalog Number:
AG005IUE
Chemical Name:
1,2-Benzenediol, 3-(2-quinolinyl)-
CAS Number:
756900-91-1
Molecular Formula:
C15H11NO2
Molecular Weight:
237.2533
IUPAC Name:
3-quinolin-2-ylbenzene-1,2-diol
InChI:
InChI=1S/C15H11NO2/c17-14-7-3-5-11(15(14)18)13-9-8-10-4-1-2-6-12(10)16-13/h1-9,17-18H
InChI Key:
ICCXBEIMPOMWON-UHFFFAOYSA-N
SMILES:
Oc1c(O)cccc1c1ccc2c(n1)cccc2
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.079g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
237.258g/mol
Monoisotopic Mass:
237.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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