2-(4-Formylphenyl)-6-(hydroxymethyl)pyridine - CAS 618092-18-5
Catalog: |
BB031268 |
Product Name: |
2-(4-Formylphenyl)-6-(hydroxymethyl)pyridine |
CAS: |
618092-18-5 |
Synonyms: |
4-[6-(hydroxymethyl)pyridin-2-yl]benzaldehyde |
IUPAC Name: | 4-[6-(hydroxymethyl)pyridin-2-yl]benzaldehyde |
Description: | 2-(4-Formylphenyl)-6-(hydroxymethyl)pyridine (CAS# 618092-18-5 ) is a useful research chemical. |
Molecular Weight: | 213.23 |
Molecular Formula: | C13H11NO2 |
Canonical SMILES: | C1=CC(=NC(=C1)CO)C2=CC=C(C=C2)C=O |
InChI: | InChI=1S/C13H11NO2/c15-8-10-4-6-11(7-5-10)13-3-1-2-12(9-16)14-13/h1-8,16H,9H2 |
InChI Key: | RZHVETZHBRUIJF-UHFFFAOYSA-N |
Boiling Point: | 399.4 ℃ at 760 mmHg |
Density: | 1.229 g/cm3 |
MDL: | MFCD05150365 |
LogP: | 2.05340 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-9029346-B1 | Irreversible inhibitors of DNA polymerase beta | 20131213 |
Complexity: | 224 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 213.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 213.078978594 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 50.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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