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88051-04-1 | 2(1H)-Quinoxalinone, 3-(2-hydroxy-3,3-dimethyl-1-butenyl)-
CAS No: 88051-04-1 Catalog No: AG004ITT MDL No:
Product Description
Catalog Number:
AG004ITT
Chemical Name:
2(1H)-Quinoxalinone, 3-(2-hydroxy-3,3-dimethyl-1-butenyl)-
CAS Number:
88051-04-1
Molecular Formula:
C14H16N2O2
Molecular Weight:
244.2890
IUPAC Name:
3-(2-hydroxy-3,3-dimethylbut-1-enyl)-1H-quinoxalin-2-one
InChI:
InChI=1S/C14H16N2O2/c1-14(2,3)12(17)8-11-13(18)16-10-7-5-4-6-9(10)15-11/h4-8,17H,1-3H3,(H,16,18)
InChI Key:
NJRLTELYDXFPPE-UHFFFAOYSA-N
SMILES:
OC(=Cc1nc2ccccc2[nH]c1=O)C(C)(C)C
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.294g/mol
Monoisotopic Mass:
244.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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