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6309-61-1 | 6-Methylquinoxaline-2,3(1H,4H)-dione
CAS No: 6309-61-1 Catalog No: AG003NB3 MDL No:MFCD03055725
Product Description
Catalog Number:
AG003NB3
Chemical Name:
6-Methylquinoxaline-2,3(1H,4H)-dione
CAS Number:
6309-61-1
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
MDL Number:
MFCD03055725
IUPAC Name:
6-methyl-1,4-dihydroquinoxaline-2,3-dione
InChI:
InChI=1S/C9H8N2O2/c1-5-2-3-6-7(4-5)11-9(13)8(12)10-6/h2-4H,1H3,(H,10,12)(H,11,13)
InChI Key:
HOHZZPCLZWZMOM-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)[nH]c(=O)c(=O)[nH]2
EC Number:
228-628-2
NSC Number:
41606
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
176.175g/mol
Monoisotopic Mass:
176.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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