Acetoxyphenurone
Basic information
- CAS
13838-02-3- Standard SMILES
CC(=O)OC(C(=O)NC(N)=O)c1ccccc1- InChIKey
MDVVMENOOOZBJG-UHFFFAOYSA-N- Molecular formula
- C11H12N2O4
- Average molar mass
- 236.22 g/mol
- Monoisotopic mass
- 236.07970687
Overview
structure
Names & identifiers
- Preferred name
- Acetoxyphenurone
- IUPAC
- [2-(carbamoylamino)-2-oxo-1-phenylethyl] acetate
- English name
- Acetic acid α-allophanoylbenzyl ester
- Molecular formula
- C11H12N2O4
- Molecular weight
- 236.22398
Names & synonyms
Acetoxyphenuronealpha-Acetoxyphenylacetylurea13838-02-3RefChem:109037alpha-AcetoxyphenuroneMandeloylurea acetate (ester)Urea, mandeloyl-, acetate (ester)alpha-(Acetyloxy)-N-(aminocarbonyl)benzeneacetamideBRN 3344274alpha-Acetoxy-phenylacetylharnstoff [German]Urea, alpha-acetoxyphenylacetyl-alpha-Acetoxy-phenylacetylharnstoff
Show more names
Acetic acid α-allophanoylbenzyl esterα-(Acetyloxy)-N-(aminocarbonyl)benzeneacetamide
4-10-00-00577 (Beilstein Handbook Reference)Benzeneacetamide, alpha-(acetyloxy)-N-(aminocarbonyl)-DTXSID80930093(Acetyloxy)-N-[hydroxy(imino)methyl](phenyl)ethanimidic acid2-(Acetyloxy)-N-[hydroxy(imino)methyl]-2-phenylethanimidic acid
Database identifiers
- CAS
13838-02-3- PubChem CID
- 114571
- DTXSID
DTXSID80930093- Nikkaji
- J49.058J
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 98.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 311
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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