Basic information
- CAS
101133-70-4- Standard SMILES
COC(=O)CCC(=O)Nc1cccc(O)c1- InChIKey
ZIRHKMMOHACNSS-UHFFFAOYSA-N- Molecular formula
- C11H13NO4
- Average molar mass
- 223.22 g/mol
- Monoisotopic mass
- 223.0844579
Names & identifiers
- Preferred name
- Methyl 4-(3-hydroxyanilino)-4-oxobutanoate
- IUPAC
- methyl 4-(3-hydroxyanilino)-4-oxobutanoate
Names & synonyms
101133-70-4Methyl 4-(3-hydroxyanilino)-4-oxobutanoateDTXSID10542103ZIRHKMMOHACNSS-UHFFFAOYSA-N4-[[3-(hydroxy)phenyl]amino]-4-oxobutanoic acid, methyl ester
Database identifiers
- CAS
101133-70-4- PubChem CID
- 13491817
- DTXSID
DTXSID10542103
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 254
Related reactions
2 records
Compound notes
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