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Basic information
- CAS
84392-26-7- Standard SMILES
CC(C)(C)c1ccc(-c2ccccc2C(=O)O)cc1- InChIKey
WYIJUURMGVBXEM-UHFFFAOYSA-N- Molecular formula
- C17H18O2
- Average molar mass
- 254.32 g/mol
- Monoisotopic mass
- 254.13067982
Names & identifiers
- Preferred name
- 4'-(tert-Butyl)-[1,1'-biphenyl]-2-carboxylic acid
- IUPAC
- 2-(4-tert-butylphenyl)benzoic acid
- English name
- 2-(4-t-Butylphenyl) benzoic acid
- Molecular formula
- C17H18O2
- Molecular weight
- 254.32
Names & synonyms
84392-26-72-(4-t-Butylphenyl)benzoic acid4'-(tert-Butyl)-[1,1'-biphenyl]-2-carboxylic acid2-(4-tert-butylphenyl)benzoic acidMFCD068026364'-Tert-butyl[1,1'-biphenyl]-2-carboxylic acid4'-(1,1-Dimethylethyl)[1,1'-biphenyl]-2-carboxylic acid4'-(tert-Butyl)-[1,1'-biphenyl]-2-carboxylicacidSCHEMBL3128352DTXSID80545429WYIJUURMGVBXEM-UHFFFAOYSA-NAKOS000124558
Show more names
2-(4-t-Butylphenyl) benzoic acid[1,1'-Biphenyl]-2-carboxylic acid, 4'-(1,1-dimethylethyl)-
4'-tert-Butylbiphenyl-2-carboxylic acidDB-076031CS-02063614'-(1,1-dimethylethyl)-[1,1'-Biphenyl]-2-carboxylic acid4 inverted exclamation marka-(1,1-Dimethylethyl)[1,1 inverted exclamation marka-biphenyl]-2-carboxylic acid
Database identifiers
- CAS
84392-26-7- PubChem CID
- 13629286
- DTXSID
DTXSID80545429
Properties
Computed structural propertiesFilling in
- XLogP
- 4.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 308
Physicochemical properties
- Boiling point
- 371.4 · 371.4±11.0 °C(Predicted)
- Density
- 1.087 · 1.087±0.06 g/cm3(Predicted)
- pka
- 3.9 · 3.90±0.36(Predicted)
Chemistry & industry
Applications
Uses2-(4-t-Butylphenyl)benzoic acid
Suppliers5 total
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
9 records
Compound notes
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