Basic information
- CAS
3009-88-9- Standard SMILES
COC(=O)CCCCC#N- InChIKey
FLUGZEGZYQCCTQ-UHFFFAOYSA-N- Molecular formula
- C7H11NO2
- Average molar mass
- 141.17 g/mol
- Monoisotopic mass
- 141.07897859
Names & identifiers
- Preferred name
- Methyl 5-cyanopentanoate
- IUPAC
- methyl 5-cyanopentanoate
- English name
- Methyl 5-cyanovalerate
- Molecular formula
- C7H11NO2
- Molecular weight
- 141.17
Names & synonyms
Methyl 5-cyanopentanoateMethyl 5-cyanovalerate3009-88-9METHYL5-CYANOVALERATE5-cyano-pentanoic acid methyl esterValeric acid, 5-cyano-, methyl ester5-cyanovaleric acid methyl esterPentanoic acid, 5-cyano-, methyl esterSCHEMBL444990SCHEMBL19305861DTXSID303391585-cyanopentanoic acid methyl ester
Show more names
AKOS006272315G47053EN300-6426502
Database identifiers
- CAS
3009-88-9- PubChem CID
- 554130
- DTXSID
DTXSID30339158- Nikkaji
- J113.243A
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 145
Physicochemical properties
- Boiling point
- 116 · 116-117 °C(Press: 9 Torr)
- Density
- 1.0201 g/cm3 · 1.0201 g/cm3(Temp: 25 °C)
Chemistry & industry
Suppliers1 total
赛纳斯特化学（欢迎点击联系）021-60343070
Related reactions
20 records
Compound notes
Loading…