59669-16-8
Product Name:
OCTANOIC 1-13C ACID
Formula:
C8H16O2
Synonyms:
Caprylic acid-1-13C;Octanoic acid-1-13C
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SAFETY INFORMATION
Signal word | Danger |
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Pictogram(s) |
Corrosion Corrosives GHS05 |
GHS Hazard Statements |
H314:Skin corrosion/irritation H412:Hazardous to the aquatic environment, long-term hazard |
Precautionary Statement Codes |
P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P363:Wash contaminated clothing before reuse. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
Molecular Weight | 145.20 g/mol |
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XLogP3 | 3 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 6 |
Exact Mass | 145.118384584 g/mol |
Monoisotopic Mass | 145.118384584 g/mol |
Topological Polar Surface Area | 37.3 Ų |
Heavy Atom Count | 10 |
Formal Charge | 0 |
Complexity | 89.3 |
Isotope Atom Count | 1 |
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 |