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Methylterephthalic acid

Catalog Number
ACM5156014-2
CAS Number
5156-01-4
Product Name
Methylterephthalic acid
Structure
Category
Carboxylic acid MOF ligand-dicarboxylic acid MOF ligand
IUPAC Name
2-methylterephthalic acid
Molecular Weight
180.16g/mol
Molecular Formula
C9H8O4
InChI
InChI=1S/C9H8O4/c1-5-4-6(8(10)11)2-3-7(5)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
InChI Key
UFMBOFGKHIXOTA-UHFFFAOYSA-N
Complexity
224
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
180.04225873g/mol
Formal Charge
0
Heavy Atom Count
13
Hydrogen Bond Acceptor Count
4
Hydrogen Bond Donor Count
2
Isotope Atom Count
0
Loss on Ignition
~200 nm (TEM+SEM)
Monoisotopic Mass
180.04225873g/mol
NSC Number
20693
Rotatable Bond Count
2
Specific Surface Area
2-10 nm
Stability
2-methylterephthalicacidLogged in to view
Static Bibulous Value
1 year.
Sulfur Content
~970 m2/g
Topological Polar Surface Area
74.6Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
1.3
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