Basic information
- CAS
617-26-5- Standard SMILES
CCC(CCC(=O)O)C(=O)O- InChIKey
QHNBKRVBKPWUKG-UHFFFAOYSA-N- Molecular formula
- C7H12O4
- Average molar mass
- 160.17 g/mol
- Monoisotopic mass
- 160.07355886
Overview
2-Ethylglutaric acid is a branched-chain fatty acid.
Names & identifiers
- Preferred name
- 2-Ethylpentanedioic acid
- IUPAC
- 2-ethylpentanedioic acid
- English name
- NSC-157556
- Molecular formula
- C7H12O4
- Molecular weight
- 160.17
Names & synonyms
2-ethylpentanedioic acid617-26-5DTXSID10303256RefChem:260706DTXCID002543892-ethylglutaric acidNSC-157556NSC157556SCHEMBL1722576SCHEMBL4331999CHEBI:89916Q27162100
Show more names
Pentanedioic acid, 2-ethyl-1,3-Pentanedicarboxylic acid
Database identifiers
- CAS
617-26-5- PubChem CID
- 291968
- DTXSID
DTXSID10303256- ChEBI
CHEBI:89916- Nikkaji
- J134.750K
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 153
Physicochemical properties
- Melting point
- 107 °C · 107 °C
- Boiling point
- 175 °C · 175 °C(Press: 11 Torr)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 4.57 · 4.57±0.10(Predicted)
Chemistry & industry
Suppliers3 total
成都格里迈特医药技术有限公司17308078590; 15928855497 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Additional notes
DefinitionChEBI: 2-Ethylglutaric acid is a branched-chain fatty acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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