Basic information
- CAS
349488-65-9- Standard SMILES
CCC(=O)Oc1ccc(NC(=O)OCc2ccccc2)cc1- InChIKey
GOTLTLTZYFYXFA-UHFFFAOYSA-N- Molecular formula
- C17H17NO4
- Average molar mass
- 299.32 g/mol
Names & identifiers
- Preferred name
- Propionic acid, 4-(benzyloxycarbonylamino)phenyl ester
- IUPAC
- [4-(phenylmethoxycarbonylamino)phenyl] propanoate
- English name
- Carbamic acid, [4-(1-oxopropoxy)phenyl]-, phenylmethyl ester (9CI)
- Molecular formula
- C17H17NO4
- Molecular weight
- 299.32
Names & synonyms
Oprea1_147067GOTLTLTZYFYXFA-UHFFFAOYSA-N4-([(Benzyloxy)carbonyl]amino)phenyl propionate #Propionic acid, 4-(benzyloxycarbonylamino)phenyl esterCarbamic acid, [4-(1-oxopropoxy)phenyl]-, phenylmethyl ester (9CI)
Database identifiers
- CAS
349488-65-9
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 358
Physicochemical properties
- Boiling point
- 406.7 · 406.7±38.0 °C(Predicted)
- Density
- 1.228 · 1.228±0.06 g/cm3(Predicted)
- pka
- 12.87 · 12.87±0.70(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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