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3-nitrohexane-2,5-diol

3-nitrohexane-2,5-diol structure

CAS No:
127811-20-5
Formula:
C6H13NO4
Chemical Name:
3-nitrohexane-2,5-diol
Synonyms:
3-nitrohexane-2,5-diol;127811-20-5;Hexane-2,5-diol, 3-nitro-;DTXSID80925989

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3-nitrohexane-2,5-diol Basic Attributes

Molecular Weight：

163.17 g/mol

Exact Mass：

163.08445790 g/mol

Characteristics

PSA：

86.3 Å²

Computed Properties

Molecular Weight:163.17
XLogP3:-0.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:163.08445790
Monoisotopic Mass:163.08445790
Topological Polar Surface Area:86.3
Heavy Atom Count:11
Complexity:133
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-nitrohexane-2,5-diol

Basic Attributes
Characteristics
Computed Properties

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