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3,8-Dimethyl-1-oxa-3,6,8-triazaspiro[4.4]nonane-2,4,7-trione

3,8-Dimethyl-1-oxa-3,6,8-triazaspiro[4.4]nonane-2,4,7-trione structure

CAS No:
5668-20-2
Formula:
C7H9N3O4
Chemical Name:
3,8-Dimethyl-1-oxa-3,6,8-triazaspiro[4.4]nonane-2,4,7-trione
Synonyms:
ISOAPOCAFFEINE;DTXSID60702159;3,8-Dimethyl-1-oxa-3,6,8-triazaspiro[4.4]nonane-2,4,7-trione

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3,8-Dimethyl-1-oxa-3,6,8-triazaspiro[4.4]nonane-2,4,7-trione Basic Attributes

Molecular Weight：

199.166

Exact Mass：

199.059

DSSTox ID：

DTXSID60702159

Characteristics

PSA：

XLogP3：

-1.2

Density：

1.57±0.1 g/cm3(Predicted)

Melting Point：

176-177 °C (decomp)

Computed Properties

Molecular Weight:199.16
XLogP3:-1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Exact Mass:199.05930578
Monoisotopic Mass:199.05930578
Topological Polar Surface Area:79
Heavy Atom Count:14
Complexity:342
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,8-Dimethyl-1-oxa-3,6,8-triazaspiro[4.4]nonane-2,4,7-trione

Basic Attributes
Characteristics
Computed Properties

3,8-Dimethyl-1-oxa-3,6,8-triazaspiro[4.4]nonane-2,4,7-trione

SDS

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