Basic information
- CAS
52602-16-1- Standard SMILES
CCCCOC(=O)c1ccccc1OC(C)=O- InChIKey
YDQOBYGKVPXOEF-UHFFFAOYSA-N- Molecular formula
- C13H16O4
- Average molar mass
- 236.26 g/mol
Names & identifiers
- Preferred name
- Butyl 2-acetoxybenzoate
- IUPAC
- butyl 2-acetyloxybenzoate
- English name
- Benzoic acid, 2-(acetyloxy)-, butyl ester
- Molecular formula
- C13H16O4
- Molecular weight
- 236.26
Names & synonyms
Butyl 2-acetoxybenzoate52602-16-1SCHEMBL1870045SCHEMBL7954996MFCD34706443Benzoic acid, 2-(acetyloxy)-, butyl esterG65477F959469
Database identifiers
- CAS
52602-16-1
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 262
Physicochemical properties
- Boiling point
- 306.5 · 306.5±15.0 °C(Predicted)
- Density
- 1.101 · 1.101±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers4 total
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…