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2-Ethynylterephthalic acid

Catalog Number
ACM1215861816-2
Product Name
2-Ethynylterephthalic acid
CAS
1215861-81-6
Category
Customizable MOF Linkers
Synonyms
1,4-Benzenedicarboxylic acid, 2-ethynyl-
IUPAC Name
2-ethynylterephthalic acid
Molecular Weight
190.20
Molecular Formula
C10H6O4
InChI
InChI=1S/C10H6O4/c1-2-6-5-7(9(11)12)3-4-8(6)10(13)14/h1,3-5H,(H,11,12)(H,13,14)
InChI Key
ZEUHFDJHPJBEKX-UHFFFAOYSA-N
Purity
98%
Complexity
299
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
190.02660867g/mol
Formal Charge
0
Heavy Atom Count
14
Hydrogen Bond Acceptor Count
4
Hydrogen Bond Donor Count
2
Isotope Atom Count
0
Monoisotopic Mass
190.02660867g/mol
Rotatable Bond Count
3
Topological Polar Surface Area
74.6Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
1.2
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