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(±)-Diethyl trans-4-cyclohexene-1,2-dicarboxylate

(±)-Diethyl trans-4-cyclohexene-1,2-dicarboxylate - CAS 5048-50-0

Catalog:	BB027076
Product Name:	(±)-Diethyl trans-4-cyclohexene-1,2-dicarboxylate
CAS:	5048-50-0
Synonyms:	diethyl (1R,2R)-cyclohex-4-ene-1,2-dicarboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	diethyl (1R,2R)-cyclohex-4-ene-1,2-dicarboxylate
Description:	(±)-Diethyl trans-4-cyclohexene-1,2-dicarboxylate (CAS# 5048-50-0) is a useful research chemical.
Molecular Weight:	226.27
Molecular Formula:	C12H18O4
Canonical SMILES:	CCOC(=O)C1CC=CCC1C(=O)OCC
InChI:	InChI=1S/C12H18O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-6,9-10H,3-4,7-8H2,1-2H3/t9-,10-/m1/s1
InChI Key:	OWVOHDKOANTMJU-NXEZZACHSA-N
Boiling Point:	293.501 °C at 760 mmHg
Purity:	95 %
Density:	1.088 g/cm³
LogP:	1.69500

Publication Number	Title	Priority Date
CN-111171195-A	Propylene polymerization solid catalyst for reducing VOC and method for producing polypropylene using the same	20181113
EP-3653655-A1	Propylene polymerizing solid catalyst for reducing voc and method of producing polypropylene using same	20181113
US-2020172641-A1	Propylene Polymerizing Solid Catalyst For Reducing VOC and Method Of Producing Polypropylene Using Same	20181113
JP-2013129642-A	Method for producing optically active 3,4-bis(alkyloxycarbonyl)-1,6-hexanedioic acid derivative	20111222
WO-2011162562-A2	[6+5] fused bicycles as a thrombin antagonist, process for preparation thereof and pharmaceutical compositions containing the bicycles	20100625

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Related Functional Groups

Carbonyl Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[55441-25-3]
1-(2-Cyanophenyl)urea
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[59855-96-8]
2-(Methoxymethyl)thiazole-5-carboxylic Acid
[1016519-61-1]
2-(Methyl-2-pyridylamino)acetic Acid

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:	255
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	226.12050905
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	226.12050905
Rotatable Bond Count:	6
Topological Polar Surface Area:	52.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8