Basic information
- CAS
4676-58-8- Standard SMILES
COc1cc2cc(C)c(C)cc2cc1OC- InChIKey
DVLHJCSVJIHUCL-UHFFFAOYSA-N- Molecular formula
- C14H16O2
- Average molar mass
- 216.27 g/mol
- Monoisotopic mass
- 216.11502975
Names & identifiers
- Preferred name
- 2,3-Dimethoxy-6,7-dimethylnaphthalene
- IUPAC
- 2,3-dimethoxy-6,7-dimethylnaphthalene
- English name
- 2,3-DiMethoxy-6,7-diMethylnaphthalene
- Molecular formula
- C14H16O2
- Molecular weight
- 216.28
Names & synonyms
2,3-dimethoxy-6,7-dimethylnaphthalene4676-58-84B43D8OJCQNSC-159488UNII-4B43D8OJCQNaphthalene, 2,3-dimethoxy-6,7-dimethyl-DTXSID50303639RefChem:81793DTXCID30254771NSC159488SCHEMBL811100Q27259366
Database identifiers
- CAS
4676-58-8- PubChem CID
- 293165
- DTXSID
DTXSID50303639- UNII
- 4B43D8OJCQ
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- Boiling point
- 337.3 · 337.3±37.0 °C(Predicted)
- Density
- 1.059 · 1.059±0.06 g/cm3(Predicted)
- FDA UNII
- 4 B43D8OJCQ · 4B43D8OJCQ
Chemistry & industry
Suppliers2 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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