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1,1-Dinitropropane

1,1-Dinitropropane structure

CAS No:
601-76-3
Formula:
C3H6N2O4
Chemical Name:
1,1-Dinitropropane
Synonyms:
Propane,1,1-dinitro-;1,1-Dinitropropane;NSC 16156;NSC 16158
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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1,1-Dinitropropane Basic Attributes

Molecular Weight：

134.091

Exact Mass：

134.09

UNII：

UTF3NLW4R4

NSC Number：

16156

DSSTox ID：

DTXSID60208843

Characteristics

PSA：

91.6

XLogP3：

Density：

1.2640 g/cm³ @ Temp: 20 °C

Melting Point：

91-92 °C

Boiling Point：

40-42 °C @ Press: 1.5 Torr

Computed Properties

Molecular Weight:134.09
XLogP3:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:134.03275668
Monoisotopic Mass:134.03275668
Topological Polar Surface Area:91.6
Heavy Atom Count:9
Complexity:109
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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PROPANE, 1,1-DINITRO-

CAS No.: 601-76-3

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