Basic information
- CAS
768387-51-5- Standard SMILES
C#CCOc1cc(OCC#C)cc(C(=O)OC)c1- InChIKey
LTVUCTGIMYZCJU-UHFFFAOYSA-N- Molecular formula
- C14H12O4
- Average molar mass
- 244.24 g/mol
- Monoisotopic mass
- 244.07355886
Names & identifiers
- Preferred name
- Methyl 3,5-Bis(propargyloxy)benzoate
- IUPAC
- methyl 3,5-bis(prop-2-ynoxy)benzoate
Names & synonyms
768387-51-5Methyl 3,5-Bis(propargyloxy)benzoatemethyl 3,5-bis(prop-2-ynoxy)benzoatemethyl 3,5-bis(prop-2-yn-1-yloxy)benzoatemethyl 3,5-bis(2-propynyloxy)benzenecarboxylate3W-0015Benzoic acid, 3,5-bis(2-propynyloxy)-, methyl esterSCHEMBL4279603DTXSID90393716LTVUCTGIMYZCJU-UHFFFAOYSA-NAKOS005090844methyl3,5-bis(prop-2-yn-1-yloxy)benzoate
Show more names
Methyl 3,5-bis(propargyloxy)benzoate, 97%Methyl 3,5-bis[(prop-2-yn-1-yl)oxy]benzoate
Database identifiers
- CAS
768387-51-5- PubChem CID
- 3566176
- DTXSID
DTXSID90393716- Nikkaji
- J2.795.400F
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 342
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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