Nicotinic acid, 5-hydroxypentyl ester
Basic information
- CAS
101952-64-1- Standard SMILES
O=C(OCCCCCO)c1cccnc1- InChIKey
VVEZBNVPLZZJBI-UHFFFAOYSA-N- Molecular formula
- C11H15NO3
- Average molar mass
- 209.24 g/mol
- Monoisotopic mass
- 209.10519334
Names & identifiers
- Preferred name
- Nicotinic acid, 5-hydroxypentyl ester
- IUPAC
- 5-hydroxypentyl pyridine-3-carboxylate
Names & synonyms
5-Hydroxypentyl nicotinate101952-64-1NICOTINIC ACID, 5-HYDROXYPENTYL ESTERBRN 0158335DTXSID801444164-22-00-00373 (Beilstein Handbook Reference)RefChem:365656DTXCID00669075-hydroxypentyl pyridine-3-carboxylate3-Pyridinecarboxylic acid, 5-hydroxypentyl ester
Database identifiers
- CAS
101952-64-1- PubChem CID
- 59175
- DTXSID
DTXSID80144416- Nikkaji
- J68.308F
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 185
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Compound notes
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