toluene, o,|A-dimethoxy-
Basic information
- CAS
21998-86-7- Standard SMILES
COCc1ccccc1OC- InChIKey
BEGPNVIJJAUGMG-UHFFFAOYSA-N- Molecular formula
- C9H12O2
- Average molar mass
- 152.19 g/mol
- Monoisotopic mass
- 152.08372962
Names & identifiers
- Preferred name
- toluene, o,|A-dimethoxy-
- IUPAC
- 1-methoxy-2-(methoxymethyl)benzene
- English name
- 2-(Methoxymethyl)anisole
- Molecular formula
- C9H12O2
- Molecular weight
- 152.19
Names & synonyms
21998-86-7DTXSID30300606toluene, o,|A-dimethoxy-RefChem:1100178DTXCID902517411-Methoxy-2-(methoxymethyl)benzeneBenzene, 1-methoxy-2-(methoxymethyl)-2-(Methoxymethyl)anisoleA-dimethoxy-1-methoxy-2-methoxymethylbenzenetoluene, o,NSC137827
Show more names
Nintedanib Impurity 722-Methoxybenzylmethyl etherMethyl(2-methoxybenzyl) ether(2-Methoxybenzyl)methyl ether
Benzene, 1-methoxy-2- (methoxymethyl)-2-methoxybenzyl methyl etherSCHEMBL31048SCHEMBL515187SCHEMBL1420532SCHEMBL2356061SCHEMBL6203845SCHEMBL6203846
Database identifiers
- CAS
21998-86-7- PubChem CID
- 283322
- DTXSID
DTXSID30300606- Nikkaji
- J110.025D
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 104
Physicochemical properties
- Boiling point
- 53 · 53-54 °C(Press: 0.25 Torr)
- Density
- 0.997 · 0.997±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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