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sec-butylnitrate

sec-butylnitrate structure

CAS No:
924-52-7
Formula:
C2H5CH(CH3)ONO2
Chemical Name:
sec-butylnitrate
Synonyms:
sec-butylnitrate;2-Nitrooxybutane;1-Methylpropyl nitrate;Nitric acid sec-butyl ester;Nitric acid (1-methylpropyl) ester
Categories:
Organic Chemistry > Inorganic Acid Esters

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sec-butylnitrate Basic Attributes

Molecular Weight：

119.12

Exact Mass：

119.058

Characteristics

PSA：

XLogP3：

1.8

Density：

1.0264

Melting Point：

-111.59°C (estimate)

Computed Properties

Molecular Weight:119.12
XLogP3:1.8
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:119.058243149
Monoisotopic Mass:119.058243149
Topological Polar Surface Area:55
Heavy Atom Count:8
Complexity:77.8
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes