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1,4-Cubanedicarboxylic Acid

Catalog Number
ACM32846665
CAS Number
32846-66-5
Product Name
1,4-Cubanedicarboxylic Acid
Structure
Category
Customizable MOF Linkers
IUPAC Name
cubane-1,4-dicarboxylic acid
Molecular Weight
192.17g/mol
Molecular Formula
C10H8O4
InChI
InChI=1S/C10H8O4/c11-7(12)9-1-2-4(9)6-5(9)3(1)10(2,6)8(13)14/h1-6H,(H,11,12)(H,13,14)
InChI Key
JFKXMJUMOJJTCQ-UHFFFAOYSA-N
Complexity
356
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
192.04225873g/mol
Formal Charge
0
Heavy Atom Count
14
Hydrogen Bond Acceptor Count
4
Hydrogen Bond Donor Count
2
Isotope Atom Count
0
Monoisotopic Mass
192.04225873g/mol
NSC Number
679808;124087
Rotatable Bond Count
2
Topological Polar Surface Area
74.6Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
-0.7
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