5-Ethyl-2,3-dihydroxybenzoic acid
Basic information
- CAS
100245-32-7- Standard SMILES
CCc1cc(O)c(O)c(C(=O)O)c1- InChIKey
DNIUGLPAZRMKLG-UHFFFAOYSA-N- Molecular formula
- C9H10O4
- Average molar mass
- 182.17 g/mol
- Monoisotopic mass
- 182.0579088
Names & identifiers
- Preferred name
- 5-Ethyl-2,3-dihydroxybenzoic acid
- IUPAC
- 5-ethyl-2,3-dihydroxybenzoic acid
Names & synonyms
5-Ethyl-2,3-dihydroxybenzoic acid100245-32-7Benzoic acid, 5-ethyl-2,3-dihydroxy-SCHEMBL9700687DTXSID30544644
Database identifiers
- CAS
100245-32-7- PubChem CID
- 13596104
- DTXSID
DTXSID30544644
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 192
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…