Basic information
- CAS
704205-92-5- Standard SMILES
CCc1ccc(C(CC(=O)O)C(=O)O)cc1- InChIKey
MPAOWPAATTZDQI-UHFFFAOYSA-N- Molecular formula
- C12H14O4
- Average molar mass
- 222.24 g/mol
Names & identifiers
- Preferred name
- 2-(4-Ethylphenyl)butanedioic acid
- IUPAC
- 2-(4-ethylphenyl)butanedioic acid
- English name
- Butanedioic acid, (4-ethylphenyl)- (9CI)
- Molecular formula
- C12H14O4
- Molecular weight
- 222.24
Names & synonyms
2-(4-ethylphenyl)butanedioic acid704205-92-52-(4-Ethylphenyl)succinic acid2-(4-ethylphenyl)butanedioicacidMFCD16312153Butanedioic acid, (4-ethylphenyl)- (9CI)AKOS016381190NS-02711EN300-704768Butanedioic acid, 2-(4-ethylphenyl)-
Database identifiers
- CAS
704205-92-5
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- Melting point
- 188 · 188-189 °C(Solv: water (7732-18-5))
- Boiling point
- 341.9 · 341.9±27.0 °C(Predicted)
- Density
- 1.247 · 1.247±0.06 g/cm3(Predicted)
- pka
- 3.68 · 3.68±0.10(Predicted)
Chemistry & industry
Suppliers2 total
CHEMSTEP[email protected]
OTAVA-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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