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89543-86-2 | 1,4-Dioxane-2,3-dione, 5-ethenyl-
CAS No: 89543-86-2 Catalog No: AG0040H3 MDL No:
Product Description
Catalog Number:
AG0040H3
Chemical Name:
1,4-Dioxane-2,3-dione, 5-ethenyl-
CAS Number:
89543-86-2
Molecular Formula:
C6H6O4
Molecular Weight:
142.1094
IUPAC Name:
5-ethenyl-1,4-dioxane-2,3-dione
InChI:
InChI=1S/C6H6O4/c1-2-4-3-9-5(7)6(8)10-4/h2,4H,1,3H2
InChI Key:
GDMODBGDGPZFKY-UHFFFAOYSA-N
SMILES:
C=CC1COC(=O)C(=O)O1
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.027g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.11g/mol
Monoisotopic Mass:
142.027g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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