Basic information
- CAS
6309-18-8- Standard SMILES
COc1ccc(C(O)C#N)cc1OC- InChIKey
SFIAWXDEIAXFOS-UHFFFAOYSA-N- Molecular formula
- C10H11NO3
- Average molar mass
- 193.2 g/mol
- Monoisotopic mass
- 193.07389321
Names & identifiers
- Preferred name
- (3,4-Dimethoxyphenyl)(hydroxy)acetonitrile
- IUPAC
- 2-(3,4-dimethoxyphenyl)-2-hydroxyacetonitrile
- English name
- Veratraldehyde cyanohydrin
- Molecular formula
- C10H11NO3
- Molecular weight
- 193.2
Names & synonyms
6309-18-8(3,4-dimethoxyphenyl)(hydroxy)acetonitrileDTXSID40285632RefChem:207383DTXCID202367832-(3,4-dimethoxyphenyl)-2-hydroxyacetonitrileNSC42530Benzeneacetonitrile, a-hydroxy-3,4-dimethoxy-SCHEMBL2534777SFIAWXDEIAXFOS-UHFFFAOYSA-NNSC-42530DS-010094
Show more names
Veratraldehyde cyanohydrinBenzeneacetonitrile, α-hydroxy-3,4-dimethoxy-
alpha-hydroxy-3,4-dimethoxy-phenylacetonitrilealpha-hydroxy-3,4-dimethoxy- phenylacetonitrile
Database identifiers
- CAS
6309-18-8- PubChem CID
- 238239
- DTXSID
DTXSID40285632- Nikkaji
- J344.702B
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 62.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- Melting point
- 104 · 104-105 °C
- Boiling point
- 356.8 · 356.8±42.0 °C(Predicted)
- Density
- 1.193 · 1.193±0.06 g/cm3(Predicted)
- pka
- 10.32 · 10.32±0.20(Predicted)
Chemistry & industry
Suppliers4 total
安徽合诺生物科技有限公司0555-2761852
安徽合诺生物科技有限公司18455579438
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
10 records
Compound notes
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