trans-Dihydrophthalic Acid - CAS 5675-13-8

Catalog:	BB068612
Product Name:	trans-Dihydrophthalic Acid
CAS:	5675-13-8
Synonyms:	trans-DHPA; trans-1,2-Dihydrophthalic Acid; rel-(1R,2R)-3,5-Cyclohexadiene-1,2-dicarboxylic acid; trans-3,5-Cyclohexadiene-1,2-dicarboxylic Acid

Technical Data

IUPAC Name:	(1R,2R)-cyclohexa-3,5-diene-1,2-dicarboxylic acid
Description:	trans-Dihydrophthalic Acid is used synthesis in-situ of the class of compds. known generally as MOFs (metal org. frameworks or organometallic compds.), COFs (covalent org. frameworks), and ZIFs (Zeolitic imidazolate framework), within and onto different types of substrates, and to the applications of such substrates having in-situ synthesized MOFs, COFs and ZIFs.
Molecular Weight:	168.15
Molecular Formula:	C8H8O4
Canonical SMILES:	C1=CC(C(C=C1)C(=O)O)C(=O)O
InChI:	InChI=1S/C8H8O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-6H,(H,9,10)(H,11,12)/t5-,6-/m1/s1
InChI Key:	OYUWHGGWLCJJNP-PHDIDXHHSA-N
References:	Pahwa, D., et al. PCT Int. Appl., (2019),.

Complexity:	236
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	168.04225873
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	168.04225873
Rotatable Bond Count:	2
Topological Polar Surface Area:	74.6Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6