Methyl 2-(2-Pyrimidyl)acetate - CAS 60561-50-4

Catalog:	BB030728
Product Name:	Methyl 2-(2-Pyrimidyl)acetate
CAS:	60561-50-4
Synonyms:	2-(2-pyrimidinyl)acetic acid methyl ester; methyl 2-pyrimidin-2-ylacetate

Technical Data

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Computed Properties

IUPAC Name:	methyl 2-pyrimidin-2-ylacetate
Description:	Methyl 2-(2-Pyrimidyl)acetate (CAS# 60561-50-4) is a useful research chemical.
Molecular Weight:	152.15
Molecular Formula:	C7H8N2O2
Canonical SMILES:	COC(=O)CC1=NC=CC=N1
InChI:	InChI=1S/C7H8N2O2/c1-11-7(10)5-6-8-3-2-4-9-6/h2-4H,5H2,1H3
InChI Key:	ZDUBLLCAMMIGFH-UHFFFAOYSA-N
Boiling Point:	220.1 °C at 760 mmHg
Density:	1.182 g/cm³
LogP:	0.19210

Publication Number	Title	Priority Date
WO-2021158634-A1	Irak degraders and uses thereof	20200203
KR-20180043343-A	Aryl, heteroaryl, and heterocyclic compounds for the treatment of medical disorders	20150826
KR-20170032468-A	Piperazine derivatives as liver x receptor modulators	20140807
AU-2014294867-A1	Novel indolizine derivatives, method for the production thereof and pharmaceutical compositions containing same	20130723
AU-2014294867-B2	Novel indolizine derivatives, method for the production thereof and pharmaceutical compositions containing same	20130723

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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, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	132
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	152.058577502
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	152.058577502
Rotatable Bond Count:	3
Topological Polar Surface Area:	52.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0