Malonic acid, (3,5-dichloro-4-hydroxybenzylidene)-
Basic information
- CAS
73747-62-3- Standard SMILES
O=C(O)C(=Cc1cc(Cl)c(O)c(Cl)c1)C(=O)O- InChIKey
ZTZIVFMAPLCEJY-UHFFFAOYSA-N- Molecular formula
- C10H6Cl2O5
- Average molar mass
- 277.05 g/mol
- Monoisotopic mass
- 275.9592287
Names & identifiers
- Preferred name
- Malonic acid, (3,5-dichloro-4-hydroxybenzylidene)-
- IUPAC
- 2-[(3,5-dichloro-4-hydroxyphenyl)methylidene]propanedioic acid
- English name
- 3,5-Dichloro-4-hydroxyphenylmethylenemalonic acid
- Molecular weight
- 0
Names & synonyms
BRN 334089873747-62-3MALONIC ACID, (3,5-DICHLORO-4-HYDROXYBENZYLIDENE)-3,5-Dichloro-4-hydroxybenzylidinemalonic acidDTXSID002240874-10-00-02159 (Beilstein Handbook Reference)RefChem:351832DTXCID00146578[(3,5-Dichloro-4-hydroxyphenyl)methylidene]propanedioic acid3,5-Dichloro-4-hydroxyphenylmethylenemalonic acid
Database identifiers
- CAS
73747-62-3- PubChem CID
- 52379
- DTXSID
DTXSID00224087- Nikkaji
- J147.606H
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 327
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Compound notes
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