Malonic acid, (3-chloro-4-hydroxybenzylidene)-
Basic information
- CAS
73747-73-6- Standard SMILES
O=C(O)C(=Cc1ccc(O)c(Cl)c1)C(=O)O- InChIKey
HKMCCLUDAGQTBR-UHFFFAOYSA-N- Molecular formula
- C10H7ClO5
- Average molar mass
- 242.61 g/mol
- Monoisotopic mass
- 241.998201
Names & identifiers
- Preferred name
- Malonic acid, (3-chloro-4-hydroxybenzylidene)-
- IUPAC
- 2-[(3-chloro-4-hydroxyphenyl)methylidene]propanedioic acid
Names & synonyms
MALONIC ACID, (3-CHLORO-4-HYDROXYBENZYLIDENE)-73747-73-6BRN 3308878(3-Chloro-4-hydroxybenzylidene)malonic acidPropanedioic acid, ((3-chloro-4-hydroxyphenyl)methylene)-DTXSID50224097[(3-Chloro-4-hydroxyphenyl)methylidene]propanedioic acid
Database identifiers
- CAS
73747-73-6- PubChem CID
- 52390
- DTXSID
DTXSID50224097- Nikkaji
- J85.376C
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 309
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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