Basic information
- CAS
170229-81-9- Standard SMILES
COC(=O)c1ccc(-c2ccc(C(=O)O)cc2)c(C)c1- InChIKey
ZMEWCUVMVPURGJ-UHFFFAOYSA-N- Molecular formula
- C16H14O4
- Average molar mass
- 270.28 g/mol
- Monoisotopic mass
- 270.08920893
Names & identifiers
- Preferred name
- 4'-(Methoxycarbonyl)-2'-methyl-[1,1'-biphenyl]-4-carboxylic acid
- IUPAC
- 4-(4-methoxycarbonyl-2-methylphenyl)benzoic acid
- English name
- 4-[4-(Methoxycarbonyl)-2-Methylphenyl]benzoic acid
- Molecular formula
- C16H14O4
- Molecular weight
- 270.28
Names & synonyms
170229-81-94'-(Methoxycarbonyl)-2'-methyl-[1,1'-biphenyl]-4-carboxylic acid4-[4-(Methoxycarbonyl)-2-methylphenyl]benzoic acidMFCD223750734-(4-methoxycarbonyl-2-methylphenyl)benzoic acidSCHEMBL7402540DTXSID80618622ZMEWCUVMVPURGJ-UHFFFAOYSA-N4'-(Methoxycarbonyl)-2'-methyl-[1,1'-biphenyl]-4-carboxylicacidBS-25498CS-02123134-(4-methoxycarbonyl-2-methyl-phenyl)benzoic acid
Show more names
4-(Methoxycarbonyl)-2-methyl-[1,1-biphenyl]-4-carboxylic acid
4'-methoxycarbonyl-2'-methyl biphenyl-4-carboxylic acid4'-Methoxycarbonyl-2'-methylbiphenyl-4-carboxylic acid4'-(Methoxycarbonyl)-2'-methyl[1,1'-biphenyl]-4-carboxylic acid
Database identifiers
- CAS
170229-81-9- PubChem CID
- 21833799
- DTXSID
DTXSID80618622
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 357
Physicochemical properties
- Boiling point
- 436.5 · 436.5±40.0 °C(Predicted)
- Density
- 1.22 · 1.220±0.06 g/cm3(Predicted)
- pka
- 4.14 · 4.14±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- P280-P305+P351+P338
Chemistry & industry
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]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
Related reactions
4 records
Compound notes
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