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113711-50-5 | 2(1H)-Quinoxalinone, 3-[2-[4-(acetyloxy)phenyl]ethenyl]-
CAS No: 113711-50-5 Catalog No: AG0009ES MDL No:
Product Description
Catalog Number:
AG0009ES
Chemical Name:
2(1H)-Quinoxalinone, 3-[2-[4-(acetyloxy)phenyl]ethenyl]-
CAS Number:
113711-50-5
Molecular Formula:
C18H14N2O3
Molecular Weight:
306.3154
IUPAC Name:
[4-[2-(3-oxo-4H-quinoxalin-2-yl)ethenyl]phenyl] acetate
InChI:
InChI=1S/C18H14N2O3/c1-12(21)23-14-9-6-13(7-10-14)8-11-17-18(22)20-16-5-3-2-4-15(16)19-17/h2-11H,1H3,(H,20,22)
InChI Key:
VZUOSVQJDMDYKV-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1ccc(cc1)C=Cc1nc2ccccc2[nH]c1=O
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.1g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.321g/mol
Monoisotopic Mass:
306.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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