Methyl 3-nonynoate
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Basic information
- CAS
7003-47-6- Standard SMILES
CCCCCC#CCC(=O)OC- InChIKey
YWKSZEDDNYXPDV-UHFFFAOYSA-N- Molecular formula
- C10H16O2
- Average molar mass
- 168.23 g/mol
- Monoisotopic mass
- 168.11502975
Names & identifiers
- Preferred name
- Methyl 3-nonynoate
- IUPAC
- methyl non-3-ynoate
- English name
- 3-Nonynoic acid methyl ester
- Molecular formula
- C10H16O2
- Molecular weight
- 168.23
Names & synonyms
Methyl 3-nonynoate3-Nonynoic acid, methyl esterDTXSID003383907003-47-6RefChem:355135DTXCID60289475YWKSZEDDNYXPDV-UHFFFAOYSA-Nmethyl non-3-ynoate3-Nonynoic acid methyl esterMethyl 3-nonynoate #SCHEMBL8359177SCHEMBL16287559
Database identifiers
- CAS
7003-47-6- PubChem CID
- 548868
- DTXSID
DTXSID00338390- Nikkaji
- J100.317H
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Boiling point
- 231 · 231.0±23.0 °C(Predicted)
- Density
- 0.932 · 0.932±0.06 g/cm3(Predicted)
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Related reactions
2 records
Compound notes
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