2-Ethynyl-1,3,5-trimethoxybenzene
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Basic information
- CAS
136612-71-0- Standard SMILES
C#Cc1c(OC)cc(OC)cc1OC- InChIKey
BZPCPFPUKMTTAA-UHFFFAOYSA-N- Molecular formula
- C11H12O3
- Average molar mass
- 192.21 g/mol
Names & identifiers
- Preferred name
- 2-Ethynyl-1,3,5-trimethoxybenzene
- IUPAC
- 2-ethynyl-1,3,5-trimethoxybenzene
- English name
- Benzene, 2-ethynyl-1,3,5-triMethoxy-
- Molecular formula
- C11H12O3
- Molecular weight
- 192.21
Names & synonyms
2-ethynyl-1,3,5-trimethoxybenzene136612-71-02-ethynyl-1,3,5-trimethoxy-benzeneMFCD02668016Benzene, 2-ethynyl-1,3,5-trimethoxy-SCHEMBL3474416SCHEMBL9996658SY335513WS-00173E72068EN300-1856069F781466
Show more names
A1-15845
Database identifiers
- CAS
136612-71-0- Nikkaji
- J3.162.242E
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 204
Physicochemical properties
- storage temp.
- 2 · Storage temp. 2-8°C
- Appearance
- Off-white to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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