Basic information
- CAS
20731-15-1- Standard SMILES
CCCCC#CCCC(=O)OC- InChIKey
RVUFRBYZLRFXJB-UHFFFAOYSA-N- Molecular formula
- C10H16O2
- Average molar mass
- 168.23 g/mol
- Monoisotopic mass
- 168.11502975
Names & identifiers
- Preferred name
- 4-Nonynoic acid, methyl ester
- IUPAC
- methyl non-4-ynoate
- English name
- 4-Nonynoic acid methyl ester
- Molecular formula
- C10H16O2
- Molecular weight
- 168.23
Names & synonyms
4-Nonynoic acid, methyl ester20731-15-1DTXSID70338382RefChem:295151DTXCID30289467RVUFRBYZLRFXJB-UHFFFAOYSA-Nmethyl non-4-ynoate4-Nonynoic acid methyl esterMethyl 4-nonynoate #SCHEMBL16288021
Database identifiers
- CAS
20731-15-1- PubChem CID
- 548829
- DTXSID
DTXSID70338382- Nikkaji
- J110.848D
Properties
Computed structural properties
- XLogP
- 2.7
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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