Methyl methoxyacetate
Properties
- Molecular formula
- C4H8O3
- Molar mass
- 104.10 g/mol
- Exact mass
- 104.0473 Da
- Density
- 1.0579 g/mL (at 15 °C)
- Boiling point
- 131 °C
- logP
- -0.19Crippen estimate
- Polar surface area
- 35.5 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 2
Hazards
Warning
- H226 Flammable liquid and vapor100% of notifiers
- H315 Causes skin irritation69% of notifiers
- H319 Causes serious eye irritation69% of notifiers
Aggregated from 158 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P264, P264+P265, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, P501
Identifiers
CAS number
6290-49-9SMILES
COCC(=O)OCInChIKey
QRMHDGWGLNLHMN-UHFFFAOYSA-NInChI
InChI=1S/C4H8O3/c1-6-3-4(5)7-2/h3H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- Acetic acid, 2-methoxy-, methyl ester
- Acetic acid, methoxy-, methyl ester
- Methyl 2-methoxyacetate
- Methyl α-methoxyacetate
- Methoxyacetic acid methyl ester
- NSC 61447
- NSC 6701
Work with Methyl methoxyacetate
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Methyl 4-methoxyacetoacetate41051-15-464 % similar
Methyl 3-methoxypropionate3852-09-358 % similar
Dimethyl succinate106-65-057 % similar
Dimethyl malonate108-59-857 % similar
Ethyl 2-methoxyacetate3938-96-356 % similar
Dimethyl glutarate1119-40-055 % similar
Methyl 4-methoxybutyrate29006-01-754 % similar
Methyl propionate554-12-152 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.