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116650-40-9 | 2H-1,5-Dioxonin-6,9-dione, 3,4-dihydro-
CAS No: 116650-40-9 Catalog No: AG000CXO MDL No:
Product Description
Catalog Number:
AG000CXO
Chemical Name:
2H-1,5-Dioxonin-6,9-dione, 3,4-dihydro-
CAS Number:
116650-40-9
Molecular Formula:
C7H8O4
Molecular Weight:
156.1360
IUPAC Name:
3,4-dihydro-2H-1,5-dioxonine-6,9-dione
InChI:
InChI=1S/C7H8O4/c8-6-2-3-7(9)11-5-1-4-10-6/h2-3H,1,4-5H2
InChI Key:
PEAOIHXRBOPFRM-UHFFFAOYSA-N
SMILES:
O=C1OCCCOC(=O)C=C1
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.042g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.137g/mol
Monoisotopic Mass:
156.042g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.3
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