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2-BUTYL-2-NITRO-1,3-PROPANEDIOL

2-BUTYL-2-NITRO-1,3-PROPANEDIOL structure

CAS No:
71027-27-5
Formula:
C7H15NO4
Chemical Name:
2-BUTYL-2-NITRO-1,3-PROPANEDIOL
Synonyms:
2-BUTYL-2-NITRO-1,3-PROPANEDIOL;2-butyl-2-nitropropane-1,3-diol;1,3-Propanediol,2-butyl-2-nitro-;SCHEMBL1170784;CTK5D3351;DTXSID80382699;ZINC3956699;AKOS006276299;FT-0691586

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2-BUTYL-2-NITRO-1,3-PROPANEDIOL Basic Attributes

Molecular Weight：

177.2

Exact Mass：

177.10000

DSSTox ID：

DTXSID80382699

HScode：

2905590090

Characteristics

PSA：

86.3

XLogP3：

0.69990

Density：

1.166±0.06 g/cm3(Predicted)

Melting Point：

48-49 °C

Computed Properties

Molecular Weight:177.20
XLogP3:0.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:177.10010796
Monoisotopic Mass:177.10010796
Topological Polar Surface Area:86.3
Heavy Atom Count:12
Complexity:139
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-BUTYL-2-NITRO-1,3-PROPANEDIOL

Basic Attributes
Characteristics
Computed Properties

2-BUTYL-2-NITRO-1,3-PROPANEDIOL

SDS

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