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2-Nitro-p-phthalic acid

Catalog Number
ACM610297-1
CAS Number
610-29-7
Product Name
2-Nitro-p-phthalic acid
Structure
Category
Carboxylic acid MOF ligand-dicarboxylic acid MOF ligand
IUPAC Name
2-nitroterephthalic acid
Molecular Weight
211.13g/mol
Molecular Formula
C8H5NO6
InChI
InChI=1S/C8H5NO6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3H,(H,10,11)(H,12,13)
InChI Key
QUMITRDILMWWBC-UHFFFAOYSA-N
Complexity
296
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
EC Number
210-217-4
Exact Mass
211.01168688g/mol
Formal Charge
0
Heavy Atom Count
15
Hydrogen Bond Acceptor Count
6
Hydrogen Bond Donor Count
2
Isotope Atom Count
0
Monoisotopic Mass
211.01168688g/mol
NSC Number
75848
Rotatable Bond Count
2
Topological Polar Surface Area
120Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
1
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