Basic information
- CAS
616-87-5- Standard SMILES
CC(C)CCC(C(=O)O)C(=O)O- InChIKey
DULGSKUOZFWTAB-UHFFFAOYSA-N- Molecular formula
- C8H14O4
- Average molar mass
- 174.19 g/mol
- Monoisotopic mass
- 174.08920893
Names & identifiers
- Preferred name
- (3-Methylbutyl)propanedioic acid
- IUPAC
- 2-(3-methylbutyl)propanedioic acid
Names & synonyms
(3-methylbutyl)propanedioic acid616-87-5isoamylmalonic acidNSC128129SCHEMBL5860242DTXSID90977191DULGSKUOZFWTAB-UHFFFAOYSA-NNSC-128129
Database identifiers
- CAS
616-87-5- PubChem CID
- 278478
- DTXSID
DTXSID90977191- Nikkaji
- J95.705D
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
- 12
- Formal charge
- 0
- Complexity
- 160
Related reactions
7 records
Compound notes
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