4-(4-Methylphenoxy)benzaldehyde - CAS 61343-83-7

Catalog:	BB031061
Product Name:	4-(4-Methylphenoxy)benzaldehyde
CAS:	61343-83-7
Synonyms:	4-(4-methylphenoxy)benzaldehyde

Technical Data

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Computed Properties

IUPAC Name:	4-(4-methylphenoxy)benzaldehyde
Description:	4-(4-Methylphenoxy)benzaldehyde (CAS# 61343-83-7) is used as a reactant in the preparation of a long-term real-time photostable mitotic or proliferating marker, CDy6.
Molecular Weight:	212.24
Molecular Formula:	C14H12O2
Canonical SMILES:	CC1=CC=C(C=C1)OC2=CC=C(C=C2)C=O
InChI:	InChI=1S/C14H12O2/c1-11-2-6-13(7-3-11)16-14-8-4-12(10-15)5-9-14/h2-10H,1H3
InChI Key:	CKNIKWIWRIHFSJ-UHFFFAOYSA-N
Boiling Point:	333.7 ℃ at 760 mmHg
Density:	1.129 g/cm³
Appearance:	White to yellow powder or crystals
MDL:	MFCD06496533
LogP:	3.59980

Publication Number	Title	Priority Date
US-2020206233-A1	Heterocyclic compounds as mutant idh inhibitors	20181231
WO-2020141439-A1	Heterocyclic compounds as mutant idh inhibitors	20181231
CN-110317200-B	Pyrimidinium compounds and uses thereof	20180328
CN-108409837-B	Glycopeptide compound with anti-drug resistance bacterial activity, preparation method and application thereof	20180306
AU-2018266966-A1	Propionic acid derivatives and methods of use thereof	20170426

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Carbonyl Compounds

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P272, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P333+P313, P337+P313, P363, and P501
Signal Word:	Warning

Complexity:	211
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	212.083729621
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	212.083729621
Rotatable Bond Count:	3
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3