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108985-27-9 | 2-Heptyl-3-hydroxyquinolin-4(1H)-one
CAS No: 108985-27-9 Catalog No: AG007BJN MDL No:MFCD07437949
Product Description
Catalog Number:
AG007BJN
Chemical Name:
2-Heptyl-3-hydroxyquinolin-4(1H)-one
CAS Number:
108985-27-9
Molecular Formula:
C16H21NO2
Molecular Weight:
259.3434
MDL Number:
MFCD07437949
IUPAC Name:
2-heptyl-3-hydroxy-3H-quinolin-4-one
InChI:
InChI=1S/C16H21NO2/c1-2-3-4-5-6-11-14-16(19)15(18)12-9-7-8-10-13(12)17-14/h7-10,16,19H,2-6,11H2,1H3
InChI Key:
IRNQEHWHRAZAPL-UHFFFAOYSA-N
SMILES:
CCCCCCCC1=Nc2ccccc2C(=O)C1O
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.157g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.349g/mol
Monoisotopic Mass:
259.157g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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