Methyl dodec-2-ynoate

HCID 324385

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Basic information

CAS: 10522-19-7
Standard SMILES: CCCCCCCCCC#CC(=O)OC
InChIKey: XMQXGBBTGXUSGX-UHFFFAOYSA-N
Molecular formula: C13H22O2
Average molar mass: 210.31 g/mol
Monoisotopic mass: 210.16197994

Names & identifiers

Preferred name: Methyl dodec-2-ynoate
IUPAC: methyl dodec-2-ynoate

Names & synonyms

10522-19-7methyl dodec-2-ynoateNSC 2895772-Dodecynoic acid, methyl esterNSC289577Methyl undecine carbonateSCHEMBL28336578DTXSID80314894AKOS014763253NSC-289577

Database identifiers

CAS: 10522-19-7
PubChem CID: 324385
DTXSID: DTXSID80314894

Properties

Computed structural properties

XLogP: 5.3
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 8
Heavy atoms: 15
Formal charge: 0
Complexity: 219

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