Basic information
- CAS
54878-01-2- Standard SMILES
COC(=O)C[C@@H]1[C@H](CC(C)=O)C1(C)C- InChIKey
MGHKLYIYPFGGDY-DTWKUNHWSA-N- Molecular formula
- C11H18O3
- Average molar mass
- 198.26 g/mol
- Monoisotopic mass
- 198.12559443
Names & identifiers
- Preferred name
- methyl 2-[(1R,3S)-2,2-dimethyl-3-(2-oxopropyl)cyclopropyl]acetate
- IUPAC
- methyl 2-[(1R,3S)-2,2-dimethyl-3-(2-oxopropyl)cyclopropyl]acetate
- English name
- Methyl (1R,3S)-2,2-dimethyl-3-(2-oxopropyl)-cyclopropaneacetate, 96
- Molecular formula
- C11H18O3
- Molecular weight
- 198.26
Names & synonyms
methyl 2-[(1R,3S)-2,2-dimethyl-3-(2-oxopropyl)cyclopropyl]acetate54878-01-2Methyl 2-((1R,3S)-2,2-dimethyl-3-(2-oxopropyl)cyclopropyl)acetateSCHEMBL14451041DTXSID70352927methyl [(1r,3s)-2,2-dimethyl-3-(2-oxo-propyl)cyclopropyl]acetateMethyl [(1R,3S)-2,2-dimethyl-3-(2-oxopropyl)cyclopropyl]acetateMethyl(1R,3S)-2,2-dimethyl-3-(2-oxopropyl)-cyclopropaneacetateMETHYL (1 R,3 S)2-2 DIMETHYL -3-(OXOPROPYL)-CYCLOPROPANEACETATEMethyl (1R,3S)-2,2-dimethyl-3-(2-oxopropyl)-cyclopropaneacetate, 96Cyclopropaneacetic acid, 2,2-dimethyl-3-(2-oxopropyl)-, methyl ester, (1R,3S)-
Database identifiers
- CAS
54878-01-2- PubChem CID
- 736111
- DTXSID
DTXSID70352927- Nikkaji
- J497.559F
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 255
Physicochemical properties
- Boiling point
- 104 · 104-106°C/3mmHg
- Density
- 0.989 · 0.989±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator (+4°C)
- form
- Liquid
- color
- Clear brown
- HS Code
- 29153900 · 29153900
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
- hs_code
- 29153900
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers5 total
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
南京世洲生物科技有限公司18351873721 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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