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130598-06-0 | 1,2-Cyclohexanedicarboxylic acid, 3-(2-furanyl)-5-oxo-
CAS No: 130598-06-0 Catalog No: AG000UOA MDL No:
Product Description
Catalog Number:
AG000UOA
Chemical Name:
1,2-Cyclohexanedicarboxylic acid, 3-(2-furanyl)-5-oxo-
CAS Number:
130598-06-0
Molecular Formula:
C12H12O6
Molecular Weight:
252.2201
IUPAC Name:
3-(furan-2-yl)-5-oxocyclohexane-1,2-dicarboxylic acid
InChI:
InChI=1S/C12H12O6/c13-6-4-7(9-2-1-3-18-9)10(12(16)17)8(5-6)11(14)15/h1-3,7-8,10H,4-5H2,(H,14,15)(H,16,17)
InChI Key:
RLBGCGZFKPFZGO-UHFFFAOYSA-N
SMILES:
O=C1CC(C(=O)O)C(C(C1)c1ccco1)C(=O)O
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.063g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
252.222g/mol
Monoisotopic Mass:
252.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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