3-(2,4,5-Trimethyl-3,6-dioxo-1,4-cyclohexadien-1-yl)benzeneheptanoic Acid - CAS 2320856-63-9

Name: 3-(2,4,5-Trimethyl-3,6-dioxo-1,4-cyclohexadien-1-yl)benzeneheptanoic Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB057651
Product Name:	3-(2,4,5-Trimethyl-3,6-dioxo-1,4-cyclohexadien-1-yl)benzeneheptanoic Acid
CAS:	2320856-63-9
Synonyms:	7-(3',4',6'-Trimethyl-2',5'-dioxo-2',5'-dihydro-[1,1'-biphenyl]-3-yl)heptanoic acid; 7-[3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)phenyl]heptanoic acid

Technical Data

IUPAC Name:	7-[3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)phenyl]heptanoic acid
Description:	3-(2,4,5-Trimethyl-3,6-dioxo-1,4-cyclohexadien-1-yl)benzeneheptanoic Acid has Benzeneheptanoic Acid in its chemical structure. Benzeneheptanoic Acid is a hyperbranched polymer used for organic pigment dispersions and water-sensitive pigments.
Molecular Weight:	354.44
Molecular Formula:	C22H26O4
Canonical SMILES:	CC1=C(C(=O)C(=C(C1=O)C)C2=CC=CC(=C2)CCCCCCC(=O)O)C
InChI:	InChI=1S/C22H26O4/c1-14-15(2)22(26)20(16(3)21(14)25)18-11-8-10-17(13-18)9-6-4-5-7-12-19(23)24/h8,10-11,13H,4-7,9,12H2,1-3H3,(H,23,24)
InChI Key:	QABFLCMWFHMKLZ-UHFFFAOYSA-N
References:	Colyer, E., et al. U.S. Pat. Appl. Publ.,(2019).

Complexity:	639
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	354.18310931
Formal Charge:	0
Heavy Atom Count:	26
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	354.18310931
Rotatable Bond Count:	8
Topological Polar Surface Area:	71.4Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.5