Basic information
- CAS
5583-34-6- Standard SMILES
O[C@@H](c1ccccc1)c1ccccn1- InChIKey
UYESUYBXKHPUDU-LBPRGKRZSA-N- Molecular formula
- C12H11NO
- Average molar mass
- 185.22 g/mol
- Monoisotopic mass
- 185.08406397
Names & identifiers
- Preferred name
- (S)-phenyl(pyridin-2-yl)methanol
- IUPAC
- (S)-phenyl(pyridin-2-yl)methanol
- English name
- 2-Pyridinemethanol, α-phenyl-, (αS)-
- Molecular formula
- C12H11NO
- Molecular weight
- 185.23
Names & synonyms
(S)-phenyl(pyridin-2-yl)methanol5583-34-62-Pyridinemethanol, alpha-phenyl-, (alphaS)-UPY3GY762D(S)-Phenyl(2-pyridyl)methanolSCHEMBL23610057SCHEMBL31143646Phenyl(2-pyridyl)methanol, (S)-(alphaS)-alpha-Phenyl-2-pyridinemethanol2-Pyridinemethanol, alpha-phenyl-, (S)-2-Pyridinemethanol alpha-phenyl-, (alphaS)-（S)pheny(pyridin-2-yl)methanol
Show more names
(S)-phenyl(pyridin-2-yl）methanol2-Pyridinemethanol, α-phenyl-, (αS)-
Database identifiers
- CAS
5583-34-6- PubChem CID
- 764580
- UNII
- UPY3GY762D
- Nikkaji
- J724.496G
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 166
Physicochemical properties
- Melting point
- 64 · 64-65 °C
- Boiling point
- 328.8 · 328.8±27.0 °C(Predicted)
- Density
- 1.155 · 1.155±0.06 g/cm3(Predicted)
- pka
- 12.67 · 12.67±0.20(Predicted)
Chemistry & industry
Suppliers2 total
石家庄州昆医药科技有限公司0311-83784138 18633934202 · [email protected]
南京信卓化工科技有限公司13245250309 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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