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dimethyl 1,2-dioxido-4-oxopyrazole-1,2-diium-3,5-dicarboxylate

dimethyl 1,2-dioxido-4-oxopyrazole-1,2-diium-3,5-dicarboxylate structure

CAS No:
17952-98-6
Formula:
C7H6N2O7
Chemical Name:
dimethyl 1,2-dioxido-4-oxopyrazole-1,2-diium-3,5-dicarboxylate
Synonyms:
dimethyl 1,2-dioxido-4-oxo-pyrazole-3,5-dicarboxylate; 2,5-Dicarbomethoxy-3,4-diazacyclopentadienone 3,4-Dioxide; 3,5-bis(methoxycarbonyl)-4-oxo-4H-pyrazole 1,2-dioxide; 2,5-bis(methoxycarbonyl)-3,4-diazacyclopentadienone dioxide; 2,5-bis(methoxycarbonyl)pyrazol-4-one N,N-dioxide; 2,5-bis(methoxycarbonyl)-4-oxo-4H-pyrazole 1,2-dioxide; 4-oxo-1,2-dioxy-4H-pyrazole-3,5-dicarboxylic acid dimethyl ester; 3,5-bis(methoxycarbonyl)-4-oxo-4H-pyrazole;Expand

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dimethyl 1,2-dioxido-4-oxopyrazole-1,2-diium-3,5-dicarboxylate Basic Attributes

Molecular Weight：

230.13200

Exact Mass：

230.01750053 g/mol

NSC Number：

236245

DSSTox ID：

DTXSID60311028

Characteristics

PSA：

127.17000

XLogP3：

-2.34970

Density：

1.57g/cm3

Boiling Point：

389.5ºC at 760 mmHg

Flash Point：

197.7ºC

Refractive Index：

1.555

Vapor Pressure：

2.84E-06mmHg at 25°C

Computed Properties

Molecular Weight:230.13
XLogP3:-0.9
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:230.01750053
Monoisotopic Mass:230.01750053
Topological Polar Surface Area:127
Heavy Atom Count:16
Complexity:408
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of dimethyl 1,2-dioxido-4-oxopyrazole-1,2-diium-3,5-dicarboxylate

Basic Attributes
Characteristics
Computed Properties
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