Basic information
- CAS
63471-85-2- Standard SMILES
O=C(O)CCC(=O)c1ccc(Cc2ccccc2)cc1- InChIKey
MGWNKUFPLYQEQS-UHFFFAOYSA-N- Molecular formula
- C17H16O3
- Average molar mass
- 268.31 g/mol
- Monoisotopic mass
- 268.10994437
Names & identifiers
- Preferred name
- 4-(4-Benzylphenyl)-4-oxobutanoic acid
- IUPAC
- 4-(4-benzylphenyl)-4-oxobutanoic acid
- English name
- 4-(4-BENZYL-PHENYL)-4-OXO-BUTYRIC ACID
- Molecular formula
- C17H16O3
- Molecular weight
- 268.31
Names & synonyms
4-(4-Benzylphenyl)-4-oxobutanoic acid63471-85-24-(4-Benzyl-phenyl)-4-oxo-butyric acid4-oxo-4-[4-benzylphenyl]butanoic acidNSC87379Benzenebutanoic acid, g-oxo-4-(phenylmethyl)-NCIOpen2_005410CHEMBL475734SCHEMBL12918716DTXSID70293144KST-1A6973NSC-87379
Show more names
TIMTEC-BB SBB012135Benzenebutanoic acid, γ-oxo-4-(phenylmethyl)-
SBB0121354-(4-Benzylphenyl)-4-oxobutanoicacidAKOS000300214ST076071SR-01000324956SR-01000324956-1(5|A,7|A,12|A)-7,12-dihydroxycholan-24-oic acid
Database identifiers
- CAS
63471-85-2- PubChem CID
- 258463
- DTXSID
DTXSID70293144- ChEMBL
CHEMBL475734
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 323
Physicochemical properties
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers5 total
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
ASINEX-REAG[email protected]
TIMTEC-BB[email protected]
MATRIX[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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