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Malonate(2-)

Malonate(2-) structure

CAS No:
156-80-9
Formula:
C3H2O4
Chemical Name:
Malonate(2-)
Synonyms:
Propanedioic acid,ion(2-);Malonic acid,ion(2-);Malonate;Malonate ion(2-);Propanedioate;Malonate dianion;Malonate(2-);Malonates
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

ChEBI: A dicarboxylic acid dianion obtained by the deprotonation of the carboxy groups of malonic acid.

Malonate(2-) is a dicarboxylic acid dianion obtained by the deprotonation of the carboxy groups of malonic acid. It has a role as a human metabolite and a mitochondrial respiratory-chain inhibitor. It is a conjugate base of a malonate(1-).

Malonate(2-) Basic Attributes

Molecular Weight：

102.045

Exact Mass：

101.996407

UNII：

4N2NU7R76L

DSSTox ID：

DTXSID10166020

Characteristics

PSA：

80.26000

XLogP3：

-0.56

Melting Point：

135

Boiling Point：

386.8±25.0 °C at 760 mmHg

Flash Point：

201.9±19.7 °C

Water Solubility：

763000 mg/L (at 25 °C)

PKA：

2.85(at 25 °C)

Dissociation Constants：

2.85 (at 25 °C)

Drug Information

MeSH Entry Terms：

dithallium malonate

Computed Properties

Molecular Weight:102.05
XLogP3:0.8
Hydrogen Bond Acceptor Count:4
Exact Mass:101.99530854
Monoisotopic Mass:101.99530854
Topological Polar Surface Area:80.3
Heavy Atom Count:7
Formal Charge:-2
Complexity:72.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes