Basic information
- CAS
4924-54-3- Standard SMILES
CC1=C(C(=O)O)C(C(=O)O)C1- InChIKey
RCIQMZDMRSJPME-UHFFFAOYSA-N- Molecular formula
- C7H8O4
- Average molar mass
- 156.14 g/mol
- Monoisotopic mass
- 156.04225873
Names & identifiers
- Preferred name
- 2-Cyclobutene-1,2-dicarboxylic acid, 3-methyl-
- IUPAC
- 3-methylcyclobut-2-ene-1,2-dicarboxylic acid
- English name
- 3-Methyl-2-cyclobutene-1,2-dicarboxylic acid
- Molecular formula
- C7H8O4
- Molecular weight
- 156.14
Names & synonyms
4924-54-32-CYCLOBUTENE-1,2-DICARBOXYLIC ACID, 3-METHYL-RefChem:10629063-methylcyclobut-2-ene-1,2-dicarboxylic acid3-Methyl-2-cyclobutene-1,2-dicarboxylic acidBRN 26418614-09-00-02887 (Beilstein Handbook Reference)SCHEMBL5480475DTXSID00964193
Database identifiers
- CAS
4924-54-3- PubChem CID
- 21037
- DTXSID
DTXSID00964193- Nikkaji
- J48.590J
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- Melting point
- 189 · 189-190.5 °C(Solv: water (7732-18-5))
- Boiling point
- 381.5 · 381.5±42.0 °C(Predicted)
- Density
- 1.49 · 1.490±0.06 g/cm3(Predicted)
- pka
- 4 · 4.00±0.60(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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