2-(4-Methoxyphenyl)-2-oxoacetaldehyde - CAS 1076-95-5

Catalog:	BB002120
Product Name:	2-(4-Methoxyphenyl)-2-oxoacetaldehyde
CAS:	1076-95-5
Synonyms:	2-(4-methoxyphenyl)-2-oxoacetaldehyde; 2-(4-methoxyphenyl)-2-oxoacetaldehyde

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Computed Properties

IUPAC Name:	2-(4-methoxyphenyl)-2-oxoacetaldehyde
Description:	2-(4-Methoxyphenyl)-2-oxoacetaldehyde (CAS# 1076-95-5 ) is a useful research chemical.
Molecular Weight:	164.16
Molecular Formula:	C9H8O3
Canonical SMILES:	COC1=CC=C(C=C1)C(=O)C=O
InChI:	InChI=1S/C9H8O3/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-6H,1H3
InChI Key:	LNZBSIXPXJKKDF-UHFFFAOYSA-N
Boiling Point:	265.3 °C at 760 mmHg
Density:	1.153 g/cm³
LogP:	1.07680

Publication Number	Title	Priority Date
WO-2020192302-A1	Pyrimidine-containing tri-substituted imidazole compound and application thereof	20190327
CN-111356687-A	Pyrimidine-containing tri-substituted imidazole compound and application thereof	20190327
CN-111356687-B	Pyrimidine-containing tri-substituted imidazole compound and application thereof	20190327
CN-108218869-A	A kind of pyrazolo [3,4-b] pyrrolo- [3,4-d] pyridine derivate and its synthetic method	20180207
CN-108218869-B	Synthesis method of pyrazolo [3,4-b ] pyrrolo [3,4-d ] pyridine derivative	20180207

PMID	Publication Date	Title	Journal
21587621	20100930	3-(4-Meth-oxy-phen-yl)pyrido[2,3-b]pyrazine	Acta crystallographica. Section E, Structure reports online

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Complexity:	169
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	164.047344113
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	164.047344113
Rotatable Bond Count:	3
Topological Polar Surface Area:	43.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8