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89093-67-4 | 1,4-Dioxane-2,3-dione, 5,6-dimethyl-
CAS No: 89093-67-4 Catalog No: AG003ZZ2 MDL No:
Product Description
Catalog Number:
AG003ZZ2
Chemical Name:
1,4-Dioxane-2,3-dione, 5,6-dimethyl-
CAS Number:
89093-67-4
Molecular Formula:
C6H8O4
Molecular Weight:
144.1253
IUPAC Name:
5,6-dimethyl-1,4-dioxane-2,3-dione
InChI:
InChI=1S/C6H8O4/c1-3-4(2)10-6(8)5(7)9-3/h3-4H,1-2H3
InChI Key:
VVOHLHIECXZSHS-UHFFFAOYSA-N
SMILES:
CC1OC(=O)C(=O)OC1C
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.042g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.126g/mol
Monoisotopic Mass:
144.042g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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