6-Methoxy-2-pyridinecarboxaldehyde - CAS 54221-96-4

Catalog:	BB028563
Product Name:	6-Methoxy-2-pyridinecarboxaldehyde
CAS:	54221-96-4
Synonyms:	6-methoxypyridine-2-carbaldehyde

Technical Data

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Computed Properties

IUPAC Name:	6-methoxypyridine-2-carbaldehyde
Description:	6-Methoxy-2-pyridinecarboxaldehyde (CAS# 54221-96-4) is a useful research chemical.
Molecular Weight:	137.14
Molecular Formula:	C7H7NO2
Canonical SMILES:	COC1=CC=CC(=N1)C=O
InChI:	InChI=1S/C7H7NO2/c1-10-7-4-2-3-6(5-9)8-7/h2-5H,1H3
InChI Key:	YDNWTNODZDSPNZ-UHFFFAOYSA-N
Boiling Point:	103-104 °C (20 mmHg)
Purity:	95 %
Density:	1.140 g/cm³
MDL:	MFCD05664030
LogP:	0.90270

Publication Number	Title	Priority Date
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WO-2020153433-A1	Substituent-including urea compound	20190124

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GHS Hazard Statement:	H302 (88.64%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P285, P301+P312, P302+P352, P304+P340, P304+P341, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P342+P311, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	116
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	137.047678466
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	137.047678466
Rotatable Bond Count:	2
Topological Polar Surface Area:	39.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1