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cis-1,4-Dibenzyloxy-2-butene

cis-1,4-Dibenzyloxy-2-butene - CAS 68972-96-3

Catalog:	BB033664
Product Name:	cis-1,4-Dibenzyloxy-2-butene
CAS:	68972-96-3
Synonyms:	[(Z)-4-phenylmethoxybut-2-enoxy]methylbenzene

Technical Data

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Computed Properties

IUPAC Name:	[(Z)-4-phenylmethoxybut-2-enoxy]methylbenzene
Description:	cis-1,4-Dibenzyloxy-2-butene (CAS# 68972-96-3 ) is a useful research chemical.
Molecular Weight:	268.35
Molecular Formula:	C18H20O2
Canonical SMILES:	C1=CC=C(C=C1)COCC=CCOCC2=CC=CC=C2
InChI:	InChI=1S/C18H20O2/c1-3-9-17(10-4-1)15-19-13-7-8-14-20-16-18-11-5-2-6-12-18/h1-12H,13-16H2/b8-7-
InChI Key:	SHOJWWNYFPQUHH-FPLPWBNLSA-N
MDL:	MFCD00274311
LogP:	3.97620

Publication Number	Title	Priority Date
WO-2019201730-A1	Hydrogenation catalyst compositions and their use for hydrogenation of nitrile rubber	20180420
WO-2019152696-A1	Spiro-lactam nmda receptor modulators and uses thereof	20180131
KR-101718242-B1	Novel compound having HIV inhibitory activity and use thereof	20151125
EP-2768611-B1	Process for hydrogenation of nitrile rubber using catalyst compositions comprising a grubbs-hoveyda type complex and a terminal olefin	20111021
US-10508156-B2	Catalyst compositions and their use for hydrogenation of nitrile rubber	20111021

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	224
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	268.146329876
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	268.146329876
Rotatable Bond Count:	8
Topological Polar Surface Area:	18.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5