4-Methylpyridine-3-carbaldehyde - CAS 51227-28-2

Catalog:	BB027373
Product Name:	4-Methylpyridine-3-carbaldehyde
CAS:	51227-28-2
Synonyms:	4-methyl-3-pyridinecarboxaldehyde; 4-methylpyridine-3-carbaldehyde

Technical Data

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Computed Properties

IUPAC Name:	4-methylpyridine-3-carbaldehyde
Description:	4-Methylpyridine-3-carbaldehyde (CAS# 51227-28-2) is a useful research chemical.
Molecular Weight:	121.14
Molecular Formula:	C7H7NO
Canonical SMILES:	CC1=C(C=NC=C1)C=O
InChI:	InChI=1S/C7H7NO/c1-6-2-3-8-4-7(6)5-9/h2-5H,1H3
InChI Key:	BAOMSKHBIVYWKE-UHFFFAOYSA-N
Boiling Point:	233.3 °C at 760 mmHg
Density:	1.095 g/cm³
Appearance:	Yellow clear liquid
MDL:	MFCD07437997
LogP:	1.20250

Publication Number	Title	Priority Date
CN-112410799-A	Method for producing hydrogen	20201028
WO-2021212039-A1	Inhibitors of cysteine proteases and methods of use thereof	20200417
WO-2021133915-A1	Ectonucleotide pyrophosphatase/phosphodiesterase 1 (enpp1) modulators and uses thereof	20191223
DE-102019210986-A1	Increasing the stability of agents for treating keratin material	20190724
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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	103
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	121.052763847
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	121.052763847
Rotatable Bond Count:	1
Topological Polar Surface Area:	30 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7