4-Methoxy-3,5-dimethylbenzaldehyde - CAS 39250-90-3

Catalog:	BB023913
Product Name:	4-Methoxy-3,5-dimethylbenzaldehyde
CAS:	39250-90-3
Synonyms:	4-methoxy-3,5-dimethylbenzaldehyde; 4-methoxy-3,5-dimethylbenzaldehyde

Technical Data

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Computed Properties

IUPAC Name:	4-methoxy-3,5-dimethylbenzaldehyde
Description:	4-Methoxy-3,5-dimethylbenzaldehyde (CAS# 39250-90-3) is a useful research chemical.
Molecular Weight:	164.20
Molecular Formula:	C10H12O2
Canonical SMILES:	CC1=CC(=CC(=C1OC)C)C=O
InChI:	InChI=1S/C10H12O2/c1-7-4-9(6-11)5-8(2)10(7)12-3/h4-6H,1-3H3
InChI Key:	SNIGEINPLSDHBQ-UHFFFAOYSA-N
Boiling Point:	264 °C at 760 mmHg
Density:	1.041 g/cm³
Appearance:	Liquid
MDL:	MFCD02261755
LogP:	2.12450

Publication Number	Title	Priority Date
WO-2020000065-A2	Substituted-n-heteroaryl compounds and uses thereof	20190325
WO-2019045655-A1	DERIVATIVES AND COMPOSITION OF QUINOLINE AND NAPHTHYRIDINE	20170829
US-2020223820-A1	Derivatives and composition of quinoline and naphthyridine	20170829
US-10889566-B2	Derivatives and composition of quinoline and naphthyridine	20170829
AU-2016214492-A1	2-phenyl-3H-imidazo[4,5-b]pyridine derivates useful as inhibitors of mammalian tyrosine kinase ROR1activity	20150202

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Related Functional Groups

Carbonyl Compounds

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	144
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	164.083729621
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	164.083729621
Rotatable Bond Count:	2
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1