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629-39-0

629-39-0 structural image
Product Name: Octylnitrate
Formula: C8H17NO3
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Octyl nitrate, [liquid] appears as a clear light-colored liquid. May be toxic by ingestion. May severely irritate skin upon contact.
Kovats Retention Index 1208 1208

COMPUTED DESCRIPTORS

Molecular Weight 175.23 g/mol
XLogP3 3.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 7
Exact Mass 175.12084340 g/mol
Monoisotopic Mass 175.12084340 g/mol
Topological Polar Surface Area 55 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 111
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Octyl nitrate, [liquid] appears as a clear light-colored liquid. May be toxic by ingestion. May severely irritate skin upon contact.