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1,4,5,7-Tetrahydro-1-methyl-5,7-dioxo-6H-pyrazolo[4,3-d]pyrimidin-6-yl benzenesulfonate

1,4,5,7-Tetrahydro-1-methyl-5,7-dioxo-6H-pyrazolo[4,3-d]pyrimidin-6-yl benzenesulfonate structure

CAS No:
10505-22-3
Formula:
C12H10N4O5S
Chemical Name:
1,4,5,7-Tetrahydro-1-methyl-5,7-dioxo-6H-pyrazolo[4,3-d]pyrimidin-6-yl benzenesulfonate
Synonyms:
Benzenesulfonic acid,1,4,5,7-tetrahydro-1-methyl-5,7-dioxo-6H-pyrazolo[4,3-d]pyrimidin-6-yl ester;1H-Pyrazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione,1-methyl-6-[(p-tolylsulfonyl)oxy]-;1,4,5,7-Tetrahydro-1-methyl-5,7-dioxo-6H-pyrazolo[4,3-d]pyrimidin-6-yl benzenesulfonate;NSC 101744

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1,4,5,7-Tetrahydro-1-methyl-5,7-dioxo-6H-pyrazolo[4,3-d]pyrimidin-6-yl benzenesulfonate Basic Attributes

Molecular Weight：

322.29700

Exact Mass：

322.30

UNII：

J7HLFO3QK8

NSC Number：

101744

DSSTox ID：

DTXSID70146929

Characteristics

PSA：

124.43000

XLogP3：

0.32160

Density：

1.68g/cm3

Melting Point：

234-236 °C

Refractive Index：

1.734

Computed Properties

Molecular Weight:322.30
XLogP3:0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:322.03719061
Monoisotopic Mass:322.03719061
Topological Polar Surface Area:119
Heavy Atom Count:22
Complexity:569
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,4,5,7-Tetrahydro-1-methyl-5,7-dioxo-6H-pyrazolo[4,3-d]pyrimidin-6-yl benzenesulfonate

Basic Attributes
Characteristics
Computed Properties
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