Dibenzyl Maleate - CAS 622-06-0

Catalog:	BB068196
Product Name:	Dibenzyl Maleate
CAS:	622-06-0
Synonyms:	Maleic Acid Dibenzyl Ester; (Z)-2-Butenedioic Acid Bis(phenylmethyl) Ester; (2Z)-2-Butenedioic Acid Bis(phenylmethyl) Ester

Technical Data

Related CAS:	538-64-7
IUPAC Name:	dibenzyl (Z)-but-2-enedioate
Description:	Dibenzyl Maleate is an potential degradation product in over-the-counter phenylephrine containing drugs.
Molecular Weight:	296.32
Molecular Formula:	C18H16O4
Canonical SMILES:	C1=CC=C(C=C1)COC(=O)C=CC(=O)OCC2=CC=CC=C2
InChI:	InChI=1S/C18H16O4/c19-17(21-13-15-7-3-1-4-8-15)11-12-18(20)22-14-16-9-5-2-6-10-16/h1-12H,13-14H2/b12-11-
InChI Key:	CPZVJYPXOWWFSW-QXMHVHEDSA-N
Solubility:	Chloroform (Slightly), Ethyl Acetate (Slightly)
Appearance:	White to Off-White Low-Melting Solid
Storage:	4°C
References:	Chan, T-M., et al. Syn. Commun., 38, 2252 (2008).

Complexity:	341
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	296.10485899
Formal Charge:	0
Heavy Atom Count:	22
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	296.10485899
Rotatable Bond Count:	8
Topological Polar Surface Area:	52.6Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2