Basic information
- CAS
39585-12-1- Standard SMILES
COC(=O)C(C)CC#N- InChIKey
OPJCVJWGOWBMJU-UHFFFAOYSA-N- Molecular formula
- C6H9NO2
- Average molar mass
- 127.14 g/mol
- Monoisotopic mass
- 127.06332853
Names & identifiers
- Preferred name
- Methyl 3-cyano-2-methylpropionate
- IUPAC
- methyl 3-cyano-2-methylpropanoate
- English name
- methyl 3-cyano-2-methylpropionate
- Molecular formula
- C6H9NO2
- Molecular weight
- 127.14116
Names & synonyms
Methyl 3-cyano-2-methylpropionate39585-12-1EINECS 254-532-5methyl 3-cyano-2-methylpropanoatemethyl 3-cyanoisobutyratemethyl-3-cyanoisobutyratemethyl-3-cyano-isobutyrateSCHEMBL6830271DTXSID40960194NS000579973-Cyano-2-methylpropanoic acid methyl ester
Database identifiers
- CAS
39585-12-1- PubChem CID
- 3016095
- DTXSID
DTXSID40960194- EC Number
- 254-532-5
- Nikkaji
- J261.397B
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 144
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
5 records
Compound notes
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