4-[(9-Hydroxynonyl)oxy]benzoic acid
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Basic information
- CAS
185810-26-8- Standard SMILES
O=C(O)c1ccc(OCCCCCCCCCO)cc1- InChIKey
XBSDKKQIWXDDQO-UHFFFAOYSA-N- Molecular formula
- C16H24O4
- Average molar mass
- 280.36 g/mol
- Monoisotopic mass
- 280.16745924
Names & identifiers
- Preferred name
- 4-[(9-Hydroxynonyl)oxy]benzoic acid
- IUPAC
- 4-(9-hydroxynonoxy)benzoic acid
- English name
- 4-[(9-Hydroxynonyl)oxy]benzoic acid
- Molecular formula
- C16H24O4
- Molecular weight
- 280.36
Names & synonyms
4-(9-hydroxynonoxy)benzoic acid4-[(9-Hydroxynonyl)oxy]benzoic acid185810-26-8SCHEMBL5478282XBSDKKQIWXDDQO-UHFFFAOYSA-N4-(9-hydroxy-nonyloxy)-benzoic acidBenzoic acid, 4-[(9-hydroxynonyl)oxy]-
Database identifiers
- CAS
185810-26-8- PubChem CID
- 18443753
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 247
Related reactions
0 records
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Compound notes
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