4-(4-Methoxyphenoxy)benzaldehyde - CAS 78725-47-0

Catalog:	BB036232
Product Name:	4-(4-Methoxyphenoxy)benzaldehyde
CAS:	78725-47-0
Synonyms:	4-(4-methoxyphenoxy)benzaldehyde

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Computed Properties

IUPAC Name:	4-(4-methoxyphenoxy)benzaldehyde
Description:	4-(4-Methoxyphenoxy)benzaldehyde (CAS# 78725-47-0) is a useful research chemical.
Molecular Weight:	228.24
Molecular Formula:	C14H12O3
Canonical SMILES:	COC1=CC=C(C=C1)OC2=CC=C(C=C2)C=O
InChI:	InChI=1S/C14H12O3/c1-16-12-6-8-14(9-7-12)17-13-4-2-11(10-15)3-5-13/h2-10H,1H3
InChI Key:	XXZKVKMXUPYUTR-UHFFFAOYSA-N
Boiling Point:	359.528 °C at 760 mmHg
Density:	1.166 g/cm³
MDL:	MFCD07365214
LogP:	3.30000

Publication Number	Title	Priority Date
CN-110317200-A	Pyrimidine compound and application thereof	20180328
CN-110317200-B	Pyrimidinium compounds and uses thereof	20180328
US-2019275027-A1	Bis-Benzyl-Tetrahydroisoquinoline Derivatives As Therapeutics For Filovirus	20180309
AU-2018215466-A1	Small molecule antagonists of SUMO related modification of CRMP2 and uses thereof	20170203
CA-3052195-A1	Small molecule antagonists of sumo related modification of crmp2 and uses thereof	20170203

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GHS Hazard Statement:	H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement:	P261, P272, P273, P280, P302+P352, P321, P333+P313, P363, P391, and P501
Signal Word:	Warning

Complexity:	226
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	228.078644241
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	228.078644241
Rotatable Bond Count:	4
Topological Polar Surface Area:	35.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3