Basic information
- Standard SMILES
CC(=CC(=O)O)C(=O)O- InChIKey
HNEGQIOMVPPMNR-UHFFFAOYSA-N- Molecular formula
- C5H6O4
- Average molar mass
- 130.1 g/mol
- Monoisotopic mass
- 130.02660867
Names & identifiers
- Preferred name
- Methylbutenedioic acid
- IUPAC
- 2-methylbut-2-enedioic acid
Names & synonyms
2-Methyl-2-butenedioic acidDTXSID208620467407-59-2Methylbutenedioic acidRefChem:1089672DTXCID50810873231-014-7Citronic acid; Methylfumaric acidSCHEMBL5894SCHEMBL7973761SCHEMBL7973763HNEGQIOMVPPMNR-UHFFFAOYSA-N
Show more names
AKOS033199661NS00082008
Database identifiers
- CAS
7407-59-2- PubChem CID
- 874
- DTXSID
DTXSID20862046- EC Number
- 231-014-7
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 168
Related reactions
1 records
Linked notes
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