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Home > Quinoline > 647836-41-7
647836-41-7 | 2(1H)-Quinolinone, 3-(4-hydroxybutyl)-
CAS No: 647836-41-7 Catalog No: AG00H70L MDL No:
Product Description
Catalog Number:
AG00H70L
Chemical Name:
2(1H)-Quinolinone, 3-(4-hydroxybutyl)-
CAS Number:
647836-41-7
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
IUPAC Name:
3-(4-hydroxybutyl)-1H-quinolin-2-one
InChI:
InChI=1S/C13H15NO2/c15-8-4-3-6-11-9-10-5-1-2-7-12(10)14-13(11)16/h1-2,5,7,9,15H,3-4,6,8H2,(H,14,16)
InChI Key:
SLSTWAMJUJNYQU-UHFFFAOYSA-N
SMILES:
OCCCCc1cc2ccccc2[nH]c1=O
Properties
Complexity:
286
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:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
217.268g/mol
Monoisotopic Mass:
217.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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