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88075-43-8 | Acetic acid, (octahydro-3-oxo-2(1H)-quinoxalinylidene)-, methyl ester
CAS No: 88075-43-8 Catalog No: AG004KGZ MDL No:
Product Description
Catalog Number:
AG004KGZ
Chemical Name:
Acetic acid, (octahydro-3-oxo-2(1H)-quinoxalinylidene)-, methyl ester
CAS Number:
88075-43-8
Molecular Formula:
C11H16N2O3
Molecular Weight:
224.2563
IUPAC Name:
methyl 2-(3-oxo-1,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-ylidene)acetate
InChI:
InChI=1S/C11H16N2O3/c1-16-10(14)6-9-11(15)13-8-5-3-2-4-7(8)12-9/h6-8,12H,2-5H2,1H3,(H,13,15)
InChI Key:
PUHJBOPVEDEGAS-UHFFFAOYSA-N
SMILES:
COC(=O)C=C1NC2CCCCC2NC1=O
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.116g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
224.26g/mol
Monoisotopic Mass:
224.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
0.9
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