Basic information
- CAS
18283-41-5- Standard SMILES
CC(C)CC(C#N)C(=O)O- InChIKey
JGUUYTTUQHBFMQ-UHFFFAOYSA-N- Molecular formula
- C7H11NO2
- Average molar mass
- 141.17 g/mol
- Monoisotopic mass
- 141.07897859
Names & identifiers
- Preferred name
- 2-Cyano-4-methylpentanoic acid
- IUPAC
- 2-cyano-4-methylpentanoic acid
Names & synonyms
2-Cyano-4-methylpentanoic acid18283-41-5RefChem:10628952-cyano-4-methyl-pentanoic acidNSC80747NSC 80747SCHEMBL15280NSC-80747AKOS012576399DS-013167CS-0448906
Database identifiers
- CAS
18283-41-5- PubChem CID
- 255342
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 61.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 166
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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