Basic information
- CAS
342816-20-0- Standard SMILES
COc1ccc(C#N)c(CO)c1- InChIKey
SWNUXDIPLFSBPX-UHFFFAOYSA-N- Molecular formula
- C9H9NO2
- Average molar mass
- 163.17 g/mol
Names & identifiers
- Preferred name
- 2-Cyano-5-methoxybenzyl alcohol
- IUPAC
- 2-(hydroxymethyl)-4-methoxybenzonitrile
- English name
- Benzonitrile, 2-(hydroxymethyl)-4-methoxy- (9CI)
- Molecular formula
- C9H9NO2
- Molecular weight
- 163.17
Names & synonyms
342816-20-02-Cyano-5-methoxybenzyl alcoholBenzonitrile, 2-(hydroxymethyl)-4-methoxy- (9CI)SCHEMBL7366426SCHEMBL7663985SCHEMBL16950717SWNUXDIPLFSBPX-UHFFFAOYSA-NDA-066462-(hydroxymethyl)-4-methoxyBenzonitrileBenzonitrile, 2-(hydroxymethyl)-4-methoxy-
Database identifiers
- CAS
342816-20-0
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- Boiling point
- 338 · 338.0±27.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- pka
- 13.93 · 13.93±0.10(Predicted)
Chemistry & industry
Suppliers3 total
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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