1,1'-(1-Cyclobutene-1,2-diyl)bis-benzene - CAS 3306-02-3

Catalog:	BB068907
Product Name:	1,1'-(1-Cyclobutene-1,2-diyl)bis-benzene
CAS:	3306-02-3
Synonyms:	1,2-Diphenyl-1-cyclobutene; 1,2-Diphenylcyclobutene; NSC 168881

Technical Data

IUPAC Name:	(2-phenylcyclobuten-1-yl)benzene
Description:	1,1'-(1-Cyclobutene-1,2-diyl)bis-benzene is an intermediate used in the synthesis of trans-1,2-Diphenylcyclobutane (D487505), which is a compound being investigated as potential print-related contaminant in food packaging.
Molecular Weight:	206.28
Molecular Formula:	C16H14
Canonical SMILES:	C1CC(=C1C2=CC=CC=C2)C3=CC=CC=C3
InChI:	InChI=1S/C16H14/c1-3-7-13(8-4-1)15-11-12-16(15)14-9-5-2-6-10-14/h1-10H,11-12H2
InChI Key:	YGVYHUGLHHFGNN-UHFFFAOYSA-N
References:	Lago, M.A., et al. Food Addit Contam Part A, 33, 518-529 (2016).

Complexity:	234
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	206.109550447
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	206.109550447
Rotatable Bond Count:	2
Topological Polar Surface Area:	0Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7