2-Ethynylterephthalic acid

Catalog Number	ACM1215861816-2
CAS	1215861-81-6
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
Covalently-Bonded Unit Count	1
Defined Atom 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
Monoisotopic Mass	190.02660867g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	74.6Ų