5-Ethynylisophthalic acid

Name: 5-Ethynylisophthalic acid
SKU: ACMA00021469
Rating: 5 (1 reviews)

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Catalog NumberACMA00021469

CategoryMOF&COF-Ligand

IUPAC Name

5-ethynylbenzene-1,3-dicarboxylic acid

Molecular Weight

190.15g/mol

Molecular Formula

C10H6O4

InChI

InChI=1S/C10H6O4/c1-2-6-3-7(9(11)12)5-8(4-6)10(13)14/h1,3-5H,(H,11,12)(H,13,14)

InChI Key

XKEUZQRIANAGPB-UHFFFAOYSA-N

Complexity

277

Compound Is Canonicalized

Yes

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

Defined Bond Stereocenter Count

Exact Mass

190.02660867g/mol

Formal Charge

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Isotope Atom Count

Monoisotopic Mass

190.02660867g/mol

Rotatable Bond Count

Topological Polar Surface Area

74.6Å²

Undefined Atom Stereocenter Count

Undefined Bond Stereocenter Count

XLogP3

1.2

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