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1070879-90-1 | 7-Methoxy-2-propyl-4-quinolinol
CAS No: 1070879-90-1 Catalog No: AG007B62 MDL No:
Product Description
Catalog Number:
AG007B62
Chemical Name:
7-Methoxy-2-propyl-4-quinolinol
CAS Number:
1070879-90-1
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
IUPAC Name:
7-methoxy-2-propyl-1H-quinolin-4-one
InChI:
InChI=1S/C13H15NO2/c1-3-4-9-7-13(15)11-6-5-10(16-2)8-12(11)14-9/h5-8H,3-4H2,1-2H3,(H,14,15)
InChI Key:
ICTVIROHKNNYDF-UHFFFAOYSA-N
SMILES:
CCCc1cc(=O)c2c([nH]1)cc(cc2)OC
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.268g/mol
Monoisotopic Mass:
217.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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