Basic information
- CAS
85763-16-2- Standard SMILES
O=C(O)C(=O)CC(=O)c1ccc(-c2ccccc2)cc1- InChIKey
OCTADEKBEAHCGJ-UHFFFAOYSA-N- Molecular formula
- C16H12O4
- Average molar mass
- 268.26 g/mol
- Monoisotopic mass
- 268.07355886
Names & identifiers
- Preferred name
- (1,1'-Biphenyl)-4-butanoic acid, alpha,gamma-dioxo-
- IUPAC
- 2,4-dioxo-4-(4-phenylphenyl)butanoic acid
- English name
- alpha,gamma-Dioxo-(1,1'-biphenyl)-4-butanoic acid
- Molecular formula
- C16H12O4
- Molecular weight
- 268.26
Names & synonyms
85763-16-2BRN 55452254-Biphenylyl-2,4-dioxo-butyric acid(1,1'-BIPHENYL)-4-BUTANOIC ACID, alpha,gamma-DIOXO-alpha,gamma-Dioxo(1,1'-biphenyl)-4-butanoic acidDTXSID30235060RefChem:203998DTXCID301575514-([1,1'-Biphenyl]-4-yl)-2,4-dioxobutanoic acidCHEMBL274003p-phenylbenzoylpyruvic acidSCHEMBL6943650
Show more names
[1,1'-Biphenyl]-4-butanoic acid, α,γ-dioxo-alpha,gamma-Dioxo-(1,1'-biphenyl)-4-butanoic acid
BDBM501525594-Biphenyl-4-yl-2,4-dioxo-butyric acid
Database identifiers
- CAS
85763-16-2- PubChem CID
- 55396
- DTXSID
DTXSID30235060- ChEMBL
CHEMBL274003- Nikkaji
- J70.029K
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 71.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 374
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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