Basic information
- CAS
71172-79-7- Standard SMILES
Cc1ccc(C(=O)C2CC2)c(C)c1- InChIKey
CENWGMGAFRZWTJ-UHFFFAOYSA-N- Molecular formula
- C12H14O
- Average molar mass
- 174.24 g/mol
- Monoisotopic mass
- 174.10446507
Names & identifiers
- Preferred name
- Cyclopropyl 2,4-xylyl ketone
- IUPAC
- cyclopropyl-(2,4-dimethylphenyl)methanone
- English name
- Cyclopropyl-(2,4-dimethylphenyl)methanone
- Molecular formula
- C12H14O
- Molecular weight
- 174.24
Names & synonyms
71172-79-7cyclopropyl(2,4-dimethylphenyl)methanoneCyclopropyl 2,4-xylyl ketonecyclopropyl-(2,4-dimethylphenyl)methanoneCyclopropyl 2,4-Dimethylphenyl KetoneMFCD00019224MLS002693749NSC71981EINECS 275-242-5Methanone,cyclopropyl(2,4-dimethylphenyl)-CHEMBL1903068SCHEMBL12442147
Show more names
Methanone, cyclopropyl(2,4-dimethylphenyl)-
DTXSID60221370HMS3087O17NSC 71981NSC-71981AKOS009337601SMR001559691SY381087CS-0361240
Database identifiers
- CAS
71172-79-7- PubChem CID
- 96396
- DTXSID
DTXSID60221370- ChEMBL
CHEMBL1903068- EC Number
- 275-242-5
- Nikkaji
- J308.738G
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 205
Chemistry & industry
Suppliers6 total
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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