CHEMICAL AND PHYSICAL PROPERTIES
Kovats Retention Index | 731 744 750 744 745 750 750 750.8 745 758 745.5 723.7 752.8 739 745 |
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SAFETY INFORMATION
Signal word | Danger |
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Pictogram(s) |
Flame Flammables GHS02 Health Hazard GHS08 |
GHS Hazard Statements |
H225:Flammable liquids H304:Aspiration hazard |
Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P331:Do NOT induce vomiting. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. |
COMPUTED DESCRIPTORS
Molecular Weight | 96.17 g/mol |
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XLogP3 | 2.6 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 0 |
Rotatable Bond Count | 0 |
Exact Mass | 96.093900383 g/mol |
Monoisotopic Mass | 96.093900383 g/mol |
Topological Polar Surface Area | 0 Ų |
Heavy Atom Count | 7 |
Formal Charge | 0 |
Complexity | 64.1 |
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
Methylenecyclohexane is a natural product found in Mangifera indica and Oryza sativa with data available.