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Basic information
- CAS
7192-42-9- Standard SMILES
CCc1cc(C(=O)O)cc(CC)c1O- InChIKey
XBPUEQBTSNGZMZ-UHFFFAOYSA-N- Molecular formula
- C11H14O3
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.0942943
Names & identifiers
- Preferred name
- Benzoic acid, 3,5-diethyl-4-hydroxy-
- IUPAC
- 3,5-diethyl-4-hydroxybenzoic acid
Names & synonyms
3,5-Diethyl-4-hydroxybenzoic acid7192-42-9BENZOIC ACID, 3,5-DIETHYL-4-HYDROXY-BRN 2616918DTXSID20222186RefChem:327069DTXCID20144677SCHEMBL5907906XBPUEQBTSNGZMZ-UHFFFAOYSA-NDA-24618
Database identifiers
- CAS
7192-42-9- PubChem CID
- 23583
- DTXSID
DTXSID20222186- Nikkaji
- J83.345B
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 189
Related reactions
3 records
Compound notes
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