3-(4-Hydroxy-3-iodophenyl)-2-oxopropanoic acid
Basic information
- CAS
14449-07-1- Standard SMILES
O=C(O)C(=O)Cc1ccc(O)c(I)c1- InChIKey
CDAHFUWPMGXLON-UHFFFAOYSA-N- Molecular formula
- C9H7IO4
- Average molar mass
- 306.05 g/mol
- Monoisotopic mass
- 305.93891
Overview
4-hydroxy-3-iodophenylpyruvic acid is a phenylpyruvic acid derivative having an iodo substituent at the 3-position and a hydroxy substituent at positions 4. It is functionally related to a pyruvic acid. It is a conjugate acid of a 4-hydroxy-3-iodophenylpyruvate.
Names & identifiers
- Preferred name
- 3-(4-Hydroxy-3-iodophenyl)-2-oxopropanoic acid
- IUPAC
- 3-(4-hydroxy-3-iodophenyl)-2-oxopropanoic acid
- English name
- 4-hydroxy-3-iodophenylpyruvic acid
- Molecular formula
- C9H7IO4
- Molecular weight
- 306.05395
Names & synonyms
3-(4-hydroxy-3-iodophenyl)-2-oxopropanoic acid4-hydroxy-3-iodophenylpyruvic acid14449-07-13-Iodo-4-hydroxyphenylpyruvateC03987SCHEMBL11052875CHEBI:28039DTXSID6012624674-oxy-3-monoiodophenylpyruvic acidMFCD34691556SY341001H56499
Show more names
4-Hydroxy-3-iodo-I+/--oxobenzenepropanoic acidQ27103468
Database identifiers
- CAS
14449-07-1- PubChem CID
- 440184
- DTXSID
DTXSID601262467- ChEBI
CHEBI:28039- Nikkaji
- J367.694C
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 241
Chemistry & industry
Additional notes
DefinitionChEBI: 4-hydroxy-3-iodophenylpyruvic acid is a phenylpyruvic acid derivative having an iodo substituent at the 3-position and a hydroxy substituent at positions 4. It is functionally related to a pyruvic acid. It is a conjugate acid of a 4-hydroxy-3-iodophenylpyruvate.
Related reactions
0 records
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Compound notes
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