Basic information
- CAS
863769-67-9- Standard SMILES
CCOC(=O)c1ccc(C(=O)C2CC2)cc1- InChIKey
XSMZWMTZXKUJKE-UHFFFAOYSA-N- Molecular formula
- C13H14O3
- Average molar mass
- 218.25 g/mol
- Monoisotopic mass
- 218.09429431
Names & identifiers
- Preferred name
- Ethyl 4-(cyclopropanecarbonyl)benzoate
- IUPAC
- ethyl 4-(cyclopropanecarbonyl)benzoate
- English name
- 4-Carboethoxyphenyl cyclopropyl ketone
- Molecular formula
- C13H14O3
- Molecular weight
- 218.25
Names & synonyms
863769-67-9ethyl 4-(cyclopropanecarbonyl)benzoate4-Carboethoxyphenyl cyclopropyl ketoneMFCD03841215ethyl 4-(cyclopropylcarbonyl)benzoate4-CARBOETHOXYPHENYLCYCLOPROPYLKETONEETHYL 4-CYCLOPROPANECARBONYLBENZOATESCHEMBL2245806DTXSID70642491XSMZWMTZXKUJKE-UHFFFAOYSA-NAKOS016019931BS-50468
Show more names
DA-02025F77061F204022Benzoic acid, 4-(cyclopropylcarbonyl)-, ethyl ester
Database identifiers
- CAS
863769-67-9- PubChem CID
- 24724092
- DTXSID
DTXSID70642491
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 273
Chemistry & industry
Suppliers10 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
上海康恩博医药科技有限公司17510465506 · [email protected]
上海肯恩化学科技有限公司13701870891; 02152215958 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
5 records
Compound notes
Loading…