Basic information
- CAS
6065-52-7- Standard SMILES
CCOC(=O)C(C)C(=O)OC- InChIKey
HRAVMVHGCAKBDV-UHFFFAOYSA-N- Molecular formula
- C7H12O4
- Average molar mass
- 160.17 g/mol
- Monoisotopic mass
- 160.07355886
Names & identifiers
- Preferred name
- Propanedioic acid, methyl-, ethyl methyl ester
- IUPAC
- 1-O-ethyl 3-O-methyl 2-methylpropanedioate
Names & synonyms
6065-52-7Propanedioic acid, methyl-, ethyl methyl esterDTXSID90341737RefChem:374502DTXCID50292817Propanedioic acid, 2-methyl-, ethyl methyl esterEthyl methyl methylpropanedioateSCHEMBL3504201SCHEMBL4658427HRAVMVHGCAKBDV-UHFFFAOYSA-N1-Ethyl 3-methyl 2-methylmalonate #AKOS002710244
Show more names
AKOS016073293
Database identifiers
- CAS
6065-52-7- PubChem CID
- 575413
- DTXSID
DTXSID90341737- Nikkaji
- J1.062.338C
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 153
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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