2-Methyl-3-(propan-2-yl)butanedioic acid
Basic information
- CAS
34861-84-2- Standard SMILES
CC(C)C(C(=O)O)C(C)C(=O)O- InChIKey
JEHHECCRMUOFLV-UHFFFAOYSA-N- Molecular formula
- C8H14O4
- Average molar mass
- 174.19 g/mol
- Monoisotopic mass
- 174.08920892
Names & identifiers
- Preferred name
- 2-Methyl-3-(propan-2-yl)butanedioic acid
- IUPAC
- 2-methyl-3-propan-2-ylbutanedioic acid
Names & synonyms
2-methyl-3-(propan-2-yl)butanedioic acidSCHEMBL17049853DTXSID40103174334861-84-2
Database identifiers
- CAS
34861-84-2- PubChem CID
- 223375
- DTXSID
DTXSID401031743
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 185
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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