Basic information
- CAS
3298-40-6- Standard SMILES
COC(=O)C(=O)C(=O)OC- InChIKey
VVOCYQDSDXLBEA-UHFFFAOYSA-N- Molecular formula
- C5H6O5
- Average molar mass
- 146.1 g/mol
- Monoisotopic mass
- 146.02152329
Names & identifiers
- Preferred name
- Dimethyl 2-oxomalonate
- IUPAC
- dimethyl 2-oxopropanedioate
- English name
- Dimethylmesoxylate
- Molecular formula
- C5H6O5
- Molecular weight
- 146.1
Names & synonyms
Dimethyl 2-oxomalonate3298-40-6Propanedioic acid, oxo-, dimethyl esterDTXSID40338213RefChem:338540DTXCID70289300VVOCYQDSDXLBEA-UHFFFAOYSA-Ndimethyl 2-oxopropanedioatedimethyl mesoxalatedimethyl ketomalonatemethoxycarbonyl ketoneDimethyl2-oxomalonate
Show more names
Dimethylmesoxylateimethyl2-oxopropanedioate1,3-DIMETHYL-2-OXOPROPANEDIOATE
1,3-DIMETHYL 2-OXOPROPANEDIOATEDimethyl oxopropanedioateDimethyl 2-oxomalonate #DIMETHYL OXOMALONATEPropanedioic acid,2-oxo-, 1,3-dimethyl esterSCHEMBL53527872-oxo-propanedioic acid dimethyl esterAKOS015850914
Database identifiers
- CAS
3298-40-6- PubChem CID
- 547679
- DTXSID
DTXSID40338213- Nikkaji
- J2.053.681K
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 153
Physicochemical properties
- Boiling point
- 184.2 · 184.2±23.0 °C(Predicted)
- Density
- 1.268 · 1.268±0.06 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
1 records
Compound notes
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