Dimethyl methylmalonate
Properties
- Molecular formula
- C6H10O4
- Molar mass
- 146.14 g/mol
- Exact mass
- 146.0579 Da
- Boiling point
- 174 °C
- logP
- -0.03Crippen estimate
- Polar surface area
- 52.6 Ų
- H-bond donors / acceptors
- 0 / 4
- Rotatable bonds
- 2
Hazards
Warning
- H227 Combustible liquid50% of notifiers
- H302 Harmful if swallowed50% of notifiers
- H315 Causes skin irritation50% of notifiers
- H319 Causes serious eye irritation50% of notifiers
- H335 May cause respiratory irritation50% of notifiers
Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, P501
Identifiers
CAS number
609-02-9SMILES
COC(=O)C(C)C(=O)OCInChIKey
LRBPFPZTIZSOGG-UHFFFAOYSA-NInChI
InChI=1S/C6H10O4/c1-4(5(7)9-2)6(8)10-3/h4H,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
9 names
- Propanedioic acid, 2-methyl-, 1,3-dimethyl ester
- Malonic acid, methyl-, dimethyl ester
- Propanedioic acid, methyl-, dimethyl ester
- Dimethyl 2-methylmalonate
- Methylmalonic acid dimethyl ester
- Methylpropanedioic acid dimethyl ester
- NSC 143779
- 1,3-Dimethyl 2-methylpropanedioate
- Dimethyl 2-methylpropanedioate
Work with Dimethyl methylmalonate
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 isobutyrate547-63-762 % similar
(+)-Methyl lactate17392-83-554 % similar
Methyl 2-chloropropionate17639-93-954 % similar
(-)-Methyl lactate27871-49-454 % similar
Methyl 2-bromopropanoate5445-17-054 % similar
Methyl lactate547-64-854 % similar
(-)-Methyl 2-chloropropionate73246-45-454 % similar
(+)-Methyl 2-chloropropionate77287-29-754 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.