Basic information
- Standard SMILES
COC(=O)c1ccc(-c2cccc(C#N)c2)cc1- InChIKey
KPNDONDAUMRIOK-UHFFFAOYSA-N- Molecular formula
- C15H11NO2
- Average molar mass
- 237.25 g/mol
- Monoisotopic mass
- 237.07897859
Names & identifiers
- Preferred name
- Methyl 4-(3-cyanophenyl)benzoate
- IUPAC
- methyl 4-(3-cyanophenyl)benzoate
- English name
- Methyl 3'-cyano[1,1'-biphenyl]-4-carboxylate
- Molecular formula
- C15H11NO2
- Molecular weight
- 237.25
Names & synonyms
Methyl 4-(3-cyanophenyl)benzoate89900-92-5Methyl 3'-cyano-[1,1'-biphenyl]-4-carboxylateMFCD05981877methyl 3'-cyano[1,1'-biphenyl]-4-carboxylateMethyl3'-cyano-[1,1'-biphenyl]-4-carboxylateSCHEMBL6659038DTXSID20362692AKOS004113970BS-29715CS-0211779AKOS BAR-0297
Show more names
[1,1'-Biphenyl]-4-carboxylic acid, 3'-cyano-, methyl ester
Database identifiers
- CAS
89900-92-5- PubChem CID
- 1393518
- DTXSID
DTXSID20362692- Nikkaji
- J1.898.413J
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 336
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
Loading…