Basic information
- CAS
2403-59-0- Standard SMILES
CCOC(OCC)c1ccc(C)cc1- InChIKey
KCKGLVOPXDIEIJ-UHFFFAOYSA-N- Molecular formula
- C12H18O2
- Average molar mass
- 194.27 g/mol
- Monoisotopic mass
- 194.13067981
Names & identifiers
- Preferred name
- p-(Diethoxymethyl)toluene
- IUPAC
- 1-(diethoxymethyl)-4-methylbenzene
- English name
- p-(diethoxymethyl)toluene
- Molecular formula
- C12H18O2
- Molecular weight
- 194.27012
Names & synonyms
1-(diethoxymethyl)-4-methylbenzene2403-59-0p-(Diethoxymethyl)tolueneNSC-2965034-Methylbenzaldehyde diethyl acetalEINECS 219-289-1NSC296503Benzene,1-(diethoxymethyl)-4-methyl-ZPU3NY92Q7SCHEMBL3906858SCHEMBL27818932DTXSID80178776
Show more names
KCKGLVOPXDIEIJ-UHFFFAOYSA-NAKOS006318071NSC 296503Benzene, 1-(diethoxymethyl)-4-methyl-NS00027543H59479
Database identifiers
- CAS
2403-59-0- PubChem CID
- 75469
- DTXSID
DTXSID80178776- UNII
- ZPU3NY92Q7
- EC Number
- 219-289-1
- Nikkaji
- J216.045E
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 133
Physicochemical properties
- FDA UNII
- 3 NY92Q7 · ZPU3NY92Q7
Chemistry & industry
Suppliers8 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
天津诺康医药科技有限公司022-23989838 13810451150 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
天成化工(江苏)有限公司0512-66387919 18662433356 · [email protected]
上海睿升化工科技有限公司15026594951 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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