Methylitaconate
Basic information
- CAS
27697-13-8- Standard SMILES
C=C(C(=O)O)C(C)C(=O)O- InChIKey
IZFHMLDRUVYBGK-UHFFFAOYSA-N- Molecular formula
- C6H8O4
- Average molar mass
- 144.12 g/mol
- Monoisotopic mass
- 144.04225873
Overview
2-methylene-3-methylsuccinic acid is a dicarboxylic acid that is succinic acid substituted by a methylene group at position 2 and a methyl group at position 3. It is a dicarboxylic acid and an olefinic compound. It is functionally related to a succinic acid. It is a conjugate acid of a 2-methylene-3-methylsuccinate(2-).
Names & identifiers
- Preferred name
- Methylitaconate
- IUPAC
- 2-methyl-3-methylidenebutanedioic acid
Names & synonyms
MethylitaconateRefChem:10896942-methylene-3-methylsuccinic acid2-methyl-3-methylidenebutanedioic acid2-Methylene-3-methylsuccinate2-methyl-3-methylidenebutanedoic acid3-methylitaconic acidProbes1_000287Probes2_000233C0229527697-13-8SCHEMBL164038
Show more names
SCHEMBL1079489CHEBI:16093DTXSID4012919112-Methyl-3-methylenebutanedioic acidAKOS006380876Q27098376
Database identifiers
- CAS
27697-13-8- PubChem CID
- 439700
- DTXSID
DTXSID401291911- ChEBI
CHEBI:16093- Nikkaji
- J1.895.610A
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 182
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Related reactions
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Compound notes
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