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112476-54-7 | 2(1H)-Quinolinone, 1-(2-propynyl)-4-(2-propynyloxy)-
CAS No: 112476-54-7 Catalog No: AG0082GX MDL No:
Product Description
Catalog Number:
AG0082GX
Chemical Name:
2(1H)-Quinolinone, 1-(2-propynyl)-4-(2-propynyloxy)-
CAS Number:
112476-54-7
Molecular Formula:
C15H11NO2
Molecular Weight:
237.2533
IUPAC Name:
4-prop-2-ynoxy-1-prop-2-ynylquinolin-2-one
InChI:
InChI=1S/C15H11NO2/c1-3-9-16-13-8-6-5-7-12(13)14(11-15(16)17)18-10-4-2/h1-2,5-8,11H,9-10H2
InChI Key:
PNUZNUAZTRZARQ-UHFFFAOYSA-N
SMILES:
C#CCOc1cc(=O)n(c2c1cccc2)CC#C
Properties
Complexity:
459
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:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.258g/mol
Monoisotopic Mass:
237.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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