Methyl 3,3-dimethylbicyclo(2.2.1)heptane-2-propionate
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Basic information
- CAS
22833-72-3- Standard SMILES
COC(=O)CCC1C2CCC(C2)C1(C)C- InChIKey
NYCUNWVIVVNUNY-UHFFFAOYSA-N- Molecular formula
- C13H22O2
- Average molar mass
- 210.31 g/mol
- Monoisotopic mass
- 210.16197994
Names & identifiers
- Preferred name
- Methyl 3,3-dimethylbicyclo(2.2.1)heptane-2-propionate
- IUPAC
- methyl 3-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)propanoate
- English name
- methyl 3,3-dimethylbicyclo[2.2.1]heptane-2-propionate
- Molecular formula
- C13H22O2
- Molecular weight
- 210.31258
Names & synonyms
22833-72-3Methyl 3,3-dimethylbicyclo(2.2.1)heptane-2-propionateMETHYL 3,3-DIMETHYLBICYCLO[2.2.1]HEPTANE-2-PROPIONATEEINECS 245-257-1DTXSID90945532NYCUNWVIVVNUNY-UHFFFAOYSA-NNS00048044Methyl 3-(3,3-dimethylbicyclo[2.2.1]heptan-2-yl)propanoate3,3-Dimethylbicyclo[2.2.1]heptane-2-propanoic acid methyl ester
Database identifiers
- CAS
22833-72-3- PubChem CID
- 90846
- DTXSID
DTXSID90945532- EC Number
- 245-257-1
- Nikkaji
- J286.324C
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 257
Related reactions
0 records
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Compound notes
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