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21962-84-5 | 1,4-Dioxocane-5,8-dione
CAS No: 21962-84-5 Catalog No: AG00385N MDL No:
Product Description
Catalog Number:
AG00385N
Chemical Name:
1,4-Dioxocane-5,8-dione
CAS Number:
21962-84-5
Molecular Formula:
C6H8O4
Molecular Weight:
144.1253
IUPAC Name:
1,4-dioxocane-5,8-dione
InChI:
InChI=1S/C6H8O4/c7-5-1-2-6(8)10-4-3-9-5/h1-4H2
InChI Key:
LOWXIIGCOBSYKX-UHFFFAOYSA-N
SMILES:
O=C1OCCOC(=O)CC1
EC Number:
244-684-0
Properties
Complexity:
134
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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