Ethyl 2-Hydroxy-5-pyrimidinecarboxylate - CAS 95928-49-7

Catalog:	BB041915
Product Name:	Ethyl 2-Hydroxy-5-pyrimidinecarboxylate
CAS:	95928-49-7
Synonyms:	2-oxo-1H-pyrimidine-5-carboxylic acid ethyl ester; ethyl 2-oxo-1H-pyrimidine-5-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 2-oxo-1H-pyrimidine-5-carboxylate
Description:	Ethyl 2-Hydroxy-5-pyrimidinecarboxylate (CAS# 95928-49-7) is a useful research chemical.
Molecular Weight:	168.15
Molecular Formula:	C7H8N2O3
Canonical SMILES:	CCOC(=O)C1=CNC(=O)N=C1
InChI:	InChI=1S/C7H8N2O3/c1-2-12-6(10)5-3-8-7(11)9-4-5/h3-4H,2H2,1H3,(H,8,9,11)
InChI Key:	CFWYVWBOCSWZIK-UHFFFAOYSA-N
Storage:	Sealed in dry, Room Temperature
LogP:	0.35890

Publication Number	Title	Priority Date
CN-113501783-A	Erianin heterocyclic derivative and preparation method and application thereof	20210630
WO-2021141855-A1	Nitrapyrin compositions for enhancing nitrogen nutrient use efficiency and improving plant growh	20200107
US-2020078364-A1	Combination therapy with a phosphoinositide 3-kinase inhibitor with a zinc binding moiety	20180911
WO-2020055840-A1	Combination therapy with a phosphoinositide 3-kinase inhibitor with a zinc binding moiety	20180911
KR-20210087438-A	Combination therapy with phosphoinositide 3-kinase inhibitors with zinc binding moieties	20180911

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	268
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.05349212
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	168.05349212
Rotatable Bond Count:	3
Topological Polar Surface Area:	67.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.3