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90917-94-5 | 4-ETHYL-3,4-DIHYDROQUINOXALIN-2(1H)-ONE
CAS No: 90917-94-5 Catalog No: AG006GFM MDL No:
Product Description
Catalog Number:
AG006GFM
Chemical Name:
4-ETHYL-3,4-DIHYDROQUINOXALIN-2(1H)-ONE
CAS Number:
90917-94-5
Molecular Formula:
C10H12N2O
Molecular Weight:
176.2151
IUPAC Name:
4-ethyl-1,3-dihydroquinoxalin-2-one
InChI:
InChI=1S/C10H12N2O/c1-2-12-7-10(13)11-8-5-3-4-6-9(8)12/h3-6H,2,7H2,1H3,(H,11,13)
InChI Key:
UHWCUWHJCAXFJR-UHFFFAOYSA-N
SMILES:
CCN1CC(=O)Nc2c1cccc2
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.219g/mol
Monoisotopic Mass:
176.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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