Basic information
- CAS
1233-73-4- Standard SMILES
COC(=O)c1ccc(C(=O)c2ccc(C(=O)OC)cc2)cc1- InChIKey
LASYICLJGDSRSM-UHFFFAOYSA-N- Molecular formula
- C17H14O5
- Average molar mass
- 298.29 g/mol
- Monoisotopic mass
- 298.08412354
Names & identifiers
- Preferred name
- Benzoic acid, 4,4'-carbonylbis-, dimethyl ester
- IUPAC
- methyl 4-(4-methoxycarbonylbenzoyl)benzoate
- English name
- 4,4'-Carbonylbis(benzoic acid methyl) ester
- Molecular formula
- C17H14O5
- Molecular weight
- 298.29
Names & synonyms
1233-73-4Benzoic acid, 4,4'-carbonylbis-, dimethyl esterDTXSID70305670RefChem:327268DTXCID20256800dimethyl 4,4'-carbonyldibenzoate4,4'-Carbonylbis(benzoic acid methyl) esterBenzophenone-4,4'-dicarboxylic acid dimethyl estermethyl 4-(4-methoxycarbonylbenzoyl)benzoate4,4/'-Carbonylbis(benzoic acid methyl) esterSCHEMBL2337244Bis(4-methoxycarbonylphenyl)methanone
Show more names
4,4'-bis(methoxycarbonylphenyl)methanone4,4'-Carbonyldibenzoic acid dimethyl ester4,4'-Carbonylbisbenzoic acid dimethyl esterBenzoic acid, 4,4'-carbonylbis-, 1,1'-dimethyl ester
NSC1714414,4'-Bis-methoxycarbonyl-benzophenoneNSC-171441Benzophenone-4,4'-dicarboxylic acid, dimethyl esterBENZOIC ACID,4,4'-CARBONYLBIS-, 1,1'-DIMETHYL ESTER
Database identifiers
- CAS
1233-73-4- PubChem CID
- 299003
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 377
Physicochemical properties
- Melting point
- 240 · 240-244 °C(Solv: toluene (108-88-3))
- Boiling point
- 451.8 · 451.8±30.0 °C(Predicted)
- Density
- 1.225 · 1.225±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers3 total
吉林中科研伸科技有限公司18143011203 · [email protected]
上海睿升化工科技有限公司15026594951 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
Related reactions
3 records
Compound notes
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