Basic information
- CAS
119450-11-2- Standard SMILES
COC(=O)CCC(=O)OCc1ccccc1- InChIKey
MUXGHJRHNFYSBX-UHFFFAOYSA-N- Molecular formula
- C12H14O4
- Average molar mass
- 222.24 g/mol
- Monoisotopic mass
- 222.08920892
Names & identifiers
- Preferred name
- Butanedioic acid, methyl phenylmethyl ester
- IUPAC
- 4-O-benzyl 1-O-methyl butanedioate
Names & synonyms
119450-11-2Butanedioic acid, methyl phenylmethyl esterbenzyl methyl succinatemethyl 3-(benzyloxycarbonyl)propanoateMethyl benzyl succinateBenzyl methyl butanedioate1-Benzyl 4-methyl succinateSCHEMBL7355592SCHEMBL76322471-Benzyl 4-methyl succinate #SCHEMBL15260919DTXSID80335988
Show more names
MUXGHJRHNFYSBX-UHFFFAOYSA-NMFCD01328791F78501
Database identifiers
- CAS
119450-11-2- PubChem CID
- 528264
- DTXSID
DTXSID80335988- Nikkaji
- J432.082D
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 231
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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