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293-30-1 | 1,3,5,7-Tetroxocane
CAS No: 293-30-1 Catalog No: AG002XZW MDL No:
Product Description
Catalog Number:
AG002XZW
Chemical Name:
1,3,5,7-Tetroxocane
CAS Number:
293-30-1
Molecular Formula:
C4H8O4
Molecular Weight:
120.1039
IUPAC Name:
1,3,5,7-tetraoxocane
InChI:
InChI=1S/C4H8O4/c1-5-2-7-4-8-3-6-1/h1-4H2
InChI Key:
XGJWQNKXTXSVML-UHFFFAOYSA-N
SMILES:
O1COCOCOC1
EC Number:
608-349-6
Properties
Complexity:
32
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.042g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
120.104g/mol
Monoisotopic Mass:
120.042g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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