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Basic information
- Standard SMILES
CC(=O)NCCc1ccc(CC(=O)O)cc1- InChIKey
VCIQWNLCNJUCRT-UHFFFAOYSA-N- Molecular formula
- C12H15NO3
- Average molar mass
- 221.25 g/mol
- Monoisotopic mass
- 221.10519334
Names & identifiers
- Preferred name
- 2-[4-(2-Acetamidoethyl)phenyl]acetic acid
- IUPAC
- 2-[4-(2-acetamidoethyl)phenyl]acetic acid
Names & synonyms
2-[4-(2-acetamidoethyl)phenyl]acetic acid2680882-80-6SCHEMBL11357071VCIQWNLCNJUCRT-UHFFFAOYSA-N4-(2-acetamidoethyl)-phenylacetic acidEN300-28274042
Database identifiers
- PubChem CID
- 23453099
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 245
Related reactions
2 records
Compound notes
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