CAS 5292-53-5 | Diethyl 2-benzylidenemalonate | CAS Number 5292-53-5

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5292-53-5 | Diethyl 2-benzylidenemalonate

CAS No: 5292-53-5 Catalog No: AG003PG9 MDL No:MFCD00009149

Product Description

Catalog Number:

AG003PG9

Chemical Name:

Diethyl 2-benzylidenemalonate

CAS Number:

5292-53-5

Molecular Formula:

C14H16O4

Molecular Weight:

248.2744

MDL Number:

MFCD00009149

IUPAC Name:

diethyl 2-benzylidenepropanedioate

InChI:

InChI=1S/C14H16O4/c1-3-17-13(15)12(14(16)18-4-2)10-11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3

InChI Key:

VUWPIBNKJSEYIN-UHFFFAOYSA-N

SMILES:

CCOC(=O)C(=Cc1ccccc1)C(=O)OCC

EC Number:

226-137-8

NSC Number:

1272

Properties

Complexity:

294

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

248.105g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

248.278g/mol

Monoisotopic Mass:

248.105g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

52.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1

Literature

Title	Journal
Diethyl 4-hy-droxy-4-methyl-6-oxo-2-phenyl-cyclo-hexane-1,3-dicarboxyl-ate.	Acta crystallographica. Section E, Structure reports online 20100801
Diethyl 2-[(N-benzyl-N-methyl-amino)(phen-yl)meth-yl]propane-dioate.	Acta crystallographica. Section E, Structure reports online 20100401