Methyl formate
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CAS Number 107-31-3
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Catalog Number io-2666
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Classification Esters
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Molecular Weight 60.0500
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SMILES COC=O
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Methyl formate is a formate ester resulting from the formal condensation of formic acid with methanol. A low-boiling (31.5 ℃) colourless, flammable liquid, it has been used as a fumigant and larvicide for tobacco and food crops. It has a role as a polar aprotic solvent, a fumigant, an insecticide and a refrigerant. It is a formate ester, a methyl ester and a volatile organic compound. It is functionally related to a methanol.
1 | METHYL FORMATE |
2 | Formic acid, methyl ester |
3 | Methyl methanoate |
4 | Formic acid methyl ester |
5 | Methylformiat |
Molecular Formula | C2H4O2 |
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Canonical SMILES | COC=O |
Isomeric SMILES | COC=O |
Molecular Weight | 60.0500 |
InChIKey | TZIHFWKZFHZASV-UHFFFAOYSA-N |
InChI | InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3 |
XLogP | 0.0000 |
ExactMass | 60.0211 |
MonoisotopicMass | 60.0211 |
TPSA | 26.3000 |
Complexity | 18.0000 |
Charge | 0.0000 |
HBondDonorCount | 0 |
HBondAcceptorCount | 2 |
RotatableBondCount | 1 |
HeavyAtomCount | 4 |
IsotopeAtomCount | 0 |
AtomStereoCount | 0 |
DefinedAtomStereoCount | 0 |
UndefinedAtomStereoCount | 0 |
BondStereoCount | 0 |
DefinedBondStereoCount | 0 |
UndefinedBondStereoCount | 0 |
CovalentUnitCount | 1 |
PatentCount | 104011 |
PatentFamilyCount | 40624 |
LiteratureCount | 2345 |