2-(4'-Hydroxybenzylidene)cyclopentene-1,3-dione
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Basic information
- CAS
55776-44-8- Standard SMILES
O=C1C=CC(=O)C1=Cc1ccc(O)cc1- InChIKey
RWDVCFJSKXXFRX-UHFFFAOYSA-N- Molecular formula
- C12H8O3
- Average molar mass
- 200.19 g/mol
- Monoisotopic mass
- 200.04734411
Overview
structure given in first source
Names & identifiers
- Preferred name
- 2-(4'-Hydroxybenzylidene)cyclopentene-1,3-dione
- IUPAC
- 2-[(4-hydroxyphenyl)methylidene]cyclopent-4-ene-1,3-dione
- English name
- 2-(4'-hydroxybenzylidene)cyclopentene-1,3-dione
- Molecular formula
- C12H8O3
- Molecular weight
- 200.19
Names & synonyms
55776-44-8Kih-2002-(4'-Hydroxybenzylidene)cyclopentene-1,3-dioneDTXSID70204336RefChem:84279DTXCID70126827Kih 2002-[(4-hydroxyphenyl)methylidene]cyclopent-4-ene-1,3-dione4-Cyclopentene-1,3-dione, 2-((4-hydroxyphenyl)methylene)-CHEMBL3275862RWDVCFJSKXXFRX-UHFFFAOYSA-NNSC239311
Show more names
4-Cyclopentene-1,3-dione, 2-[(4-hydroxyphenyl)methylene]-5-[(4-hydroxyphenyl)methylidene]cyclopent-2-ene-1,4-dione
NSC 239311NSC-239311
Database identifiers
- CAS
55776-44-8- PubChem CID
- 99845
- DTXSID
DTXSID70204336- ChEMBL
CHEMBL3275862
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 324
Related reactions
0 records
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Compound notes
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