6-Hydroxymethyl-nicotinic acid methyl ester - CAS 56026-36-9
Catalog: |
BB029238 |
Product Name: |
6-Hydroxymethyl-nicotinic acid methyl ester |
CAS: |
56026-36-9 |
Synonyms: |
methyl 6-(hydroxymethyl)pyridine-3-carboxylate |
IUPAC Name: | methyl 6-(hydroxymethyl)pyridine-3-carboxylate |
Description: | 6-Hydroxymethyl-nicotinic acid methyl ester (CAS# 56026-36-9) is a useful research chemical. |
Molecular Weight: | 167.16 |
Molecular Formula: | C8H9NO3 |
Canonical SMILES: | COC(=O)C1=CN=C(C=C1)CO |
InChI: | InChI=1S/C8H9NO3/c1-12-8(11)6-2-3-7(5-10)9-4-6/h2-4,10H,5H2,1H3 |
InChI Key: | QVLONHSXRWCCAE-UHFFFAOYSA-N |
Boiling Point: | 293.4 ℃ at 760 mmHg |
Purity: | 95 % |
Density: | 1.244 g/cm3 |
MDL: | MFCD00643821 |
LogP: | 0.36050 |
GHS Hazard Statement: | H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P280, P305+P351+P338, and P337+P313 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2021123539-A | Pyrrolopyrimidinone compound | 20200203 |
JP-2021102590-A | Hypoxanthine compound | 20191226 |
WO-2021129584-A1 | Pd-l1 antagonist compound | 20191226 |
WO-2021125279-A1 | Chemically crosslinked alginate gel fiber | 20191218 |
CN-112979655-A | Triazolopyridazine derivative, preparation method, pharmaceutical composition and application thereof | 20191216 |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.058243149 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 59.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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