Basic information
- CAS
13335-54-1- Standard SMILES
O=C(O)CCC(=O)c1ccc(O)cc1O- InChIKey
RPKSGQQLEFBTBB-UHFFFAOYSA-N- Molecular formula
- C10H10O5
- Average molar mass
- 210.18 g/mol
- Monoisotopic mass
- 210.05282342
Names & identifiers
- Preferred name
- 2,4-Dihydroxy-gamma-oxobenzenebutanoic acid
- IUPAC
- 4-(2,4-dihydroxyphenyl)-4-oxobutanoic acid
Names & synonyms
13335-54-1RefChem:2464902,4-Dihydroxy-gamma-oxobenzenebutanoic acid4-(2,4-dihydroxyphenyl)-4-oxobutanoic acidSCHEMBL1134290RPKSGQQLEFBTBB-UHFFFAOYSA-NDTXSID301279877ss-(2.4-Dioxybenzoyl)propionsaure2,4-Dihydroxy-I(3)-oxobenzenebutanoic acid4-(2,4-dihydroxy-phenyl)-4-oxo-butyric acid
Database identifiers
- CAS
13335-54-1- PubChem CID
- 14844827
- DTXSID
DTXSID301279877
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 250
Related reactions
1 records
Compound notes
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