1515-75-9
Product Name:
1,3-BUTADIENE-1-CARBOXYLIC ACID METHYL ESTER
Formula:
C6H8O2
Synonyms:
1,3-Butadiene-1-carboxylic acid methyl ester;2,4-Pentadienoic acid methyl ester;Methyl 1,3-butadiene-1-carboxylate
Inquiry
SAFETY INFORMATION
Signal word | Warning |
---|---|
Pictogram(s) |
Flame Flammables GHS02 Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H226:Flammable liquids H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation H412:Hazardous to the aquatic environment, long-term hazard |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P273:Avoid release to the environment. 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 | 112.13 g/mol |
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XLogP3 | 1.4 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 3 |
Exact Mass | 112.052429494 g/mol |
Monoisotopic Mass | 112.052429494 g/mol |
Topological Polar Surface Area | 26.3 Ų |
Heavy Atom Count | 8 |
Formal Charge | 0 |
Complexity | 114 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |