Basic information
- CAS
775356-43-9- Standard SMILES
COC(=O)C(NC(=O)C(C)C)c1ccccc1- InChIKey
BBIAZVMAEQDDAJ-UHFFFAOYSA-N- Molecular formula
- C13H17NO3
- Average molar mass
- 235.28 g/mol
- Monoisotopic mass
- 235.1208434
Names & identifiers
- Preferred name
- Isobutyrylamino-phenyl-acetic acid methyl ester
- IUPAC
- methyl 2-(2-methylpropanoylamino)-2-phenylacetate
- English name
- Isobutyrylamino-phenyl-acetic acid methyl ester
- Molecular weight
- 0
Names & synonyms
ISOBUTYRYLAMINO-PHENYL-ACETIC ACID METHYL ESTERAKOS011390882
Database identifiers
- CAS
775356-43-9- PubChem CID
- 3736670
- EC Number
- 152-226-5
- Nikkaji
- J2.104.262E
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 270
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA ALDRICH IRELAND LTD[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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