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15771-22-9 | Bicyclo[2.2.2]octane-1,4-dicarboxylic acid, 2,5-dioxo-
CAS No: 15771-22-9 Catalog No: AG001PO5 MDL No:MFCD00213764
Product Description
Catalog Number:
AG001PO5
Chemical Name:
Bicyclo[2.2.2]octane-1,4-dicarboxylic acid, 2,5-dioxo-
CAS Number:
15771-22-9
Molecular Formula:
C10H10O6
Molecular Weight:
226.1828
MDL Number:
MFCD00213764
IUPAC Name:
2,5-dioxobicyclo[2.2.2]octane-1,4-dicarboxylic acid
InChI:
InChI=1S/C10H10O6/c11-5-4-10(8(15)16)2-1-9(5,7(13)14)3-6(10)12/h1-4H2,(H,13,14)(H,15,16)
InChI Key:
XQIBGVDOSWYGGA-UHFFFAOYSA-N
SMILES:
O=C1CC2(CCC1(CC2=O)C(=O)O)C(=O)O
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.048g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.184g/mol
Monoisotopic Mass:
226.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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