Basic information
- CAS
51074-95-4- Standard SMILES
CC(=O)Oc1ccc(C(N)=O)cc1- InChIKey
BFASOGCHMDYMBM-UHFFFAOYSA-N- Molecular formula
- C9H9NO3
- Average molar mass
- 179.17 g/mol
- Monoisotopic mass
- 179.05824315
Names & identifiers
- Preferred name
- 4-(Aminocarbonyl)phenyl acetate
- IUPAC
- (4-carbamoylphenyl) acetate
- English name
- 4-(aminocarbonyl)phenyl acetate
- Molecular formula
- C9H9NO3
- Molecular weight
- 179.17
Names & synonyms
4-carbamoylphenyl acetate4-(Aminocarbonyl)phenyl acetate51074-95-4EINECS 256-952-44-Acetoxybenzoic acid amideOprea1_067104SCHEMBL9302775SCHEMBL93913214-(aminocarbonyl) phenylacetateDTXSID20199081NSC123376AKOS003277634
Show more names
4-AcetoxybenzamideBenzamide, 4-(acetyloxy)-
NSC 123376NSC-123376ST008549NS00032201
Database identifiers
- CAS
51074-95-4- PubChem CID
- 97444
- DTXSID
DTXSID20199081- EC Number
- 256-952-4
- Nikkaji
- J261.630K
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 207
Experimental & physicochemical properties
LogP0.27
Endocrine DisruptorsPotential endocrine disrupting compound
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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