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190062-36-3 | Bicyclo[2.2.2]octane-1,4-dicarboxylic acid, 2,5-bis(acetyloxy)-
CAS No: 190062-36-3 Catalog No: AG002E9O MDL No:
Product Description
Catalog Number:
AG002E9O
Chemical Name:
Bicyclo[2.2.2]octane-1,4-dicarboxylic acid, 2,5-bis(acetyloxy)-
CAS Number:
190062-36-3
Molecular Formula:
C14H18O8
Molecular Weight:
314.2879
IUPAC Name:
2,5-diacetyloxybicyclo[2.2.2]octane-1,4-dicarboxylic acid
InChI:
InChI=1S/C14H18O8/c1-7(15)21-9-5-14(12(19)20)4-3-13(9,11(17)18)6-10(14)22-8(2)16/h9-10H,3-6H2,1-2H3,(H,17,18)(H,19,20)
InChI Key:
LZRULTPQJYMAGO-UHFFFAOYSA-N
SMILES:
OC(=O)C12CCC(C(C1)OC(=O)C)(CC2OC(=O)C)C(=O)O
Properties
Complexity:
493
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.1g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
314.29g/mol
Monoisotopic Mass:
314.1g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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