Basic information
- CAS
165459-74-5- Standard SMILES
[C-]#[N+]Cc1cc(OC)c(OC)c(OC)c1- InChIKey
POGKDRXRTUOFAJ-UHFFFAOYSA-N- Molecular formula
- C11H13NO3
- Average molar mass
- 207.23 g/mol
- Monoisotopic mass
- 207.08954328
Names & identifiers
- Preferred name
- 3,4,5-Trimethoxybenzylisocyanide
- IUPAC
- 5-(isocyanomethyl)-1,2,3-trimethoxybenzene
- English name
- 3,4,5-Trimethoxybenzylisocyanide
- Molecular formula
- C11H13NO3
- Molecular weight
- 207.23
Names & synonyms
165459-74-53,4,5-TrimethoxybenzylisocyanideDTXSID60332314RefChem:270603DTXCID502834075-(isocyanomethyl)-1,2,3-trimethoxybenzeneBenzene, 5-(isocyanomethyl)-1,2,3-trimethoxy-SCHEMBL9142784AKOS015912204GS-00945-(isocyanomethyl)-1,2,3-trimethoxy-benzeneEN300-1836643
Database identifiers
- CAS
165459-74-5- PubChem CID
- 449794
- DTXSID
DTXSID60332314- Nikkaji
- J3.705.003B
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 32.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 221
Chemistry & industry
Suppliers5 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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