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Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

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CHEMISTRY
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ACTIVE PHARMA INGREDIENTS

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1 USDMF

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Chemistry

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Also known as: 14536-19-7, Einecs 238-571-5

Molecular Formula

C₂O₄Zr+₂

Molecular Weight

179.24 g/mol

InChI Key

WCGLRTHPAAXWAU-UHFFFAOYSA-L

1 2D Structure

Zirconium Oxalate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

oxalate;zirconium(4+)

2.1.2 InChI

InChI=1S/C2H2O4.Zr/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+4/p-2

2.1.3 InChI Key

WCGLRTHPAAXWAU-UHFFFAOYSA-L

2.1.4 Canonical SMILES

C(=O)(C(=O)[O-])[O-].[Zr+4]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 14536-19-7

2. Einecs 238-571-5

2.3 Create Date

2009-08-20

3 Chemical and Physical Properties

Molecular Formula	C₂O₄Zr+₂
Molecular Weight	179.24 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	177.884357 g/mol
Monoisotopic Mass	177.884357 g/mol
Topological Polar Surface Area	80.3 Å²
Heavy Atom Count	7
Formal Charge	2
Complexity	60.5
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2