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. |
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Kovats Retention Index | 1208 1208 |
COMPUTED DESCRIPTORS
Molecular Weight | 175.23 g/mol |
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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.