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Methyl 2-(4,6-Dihydroxy-5-pyrimidinyl)propanoate

Methyl 2-(4,6-Dihydroxy-5-pyrimidinyl)propanoate - CAS 2006277-39-8

Catalog:	BB015533
Product Name:	Methyl 2-(4,6-Dihydroxy-5-pyrimidinyl)propanoate
CAS:	2006277-39-8
Synonyms:	2-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanoic acid methyl ester; methyl 2-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanoate

Technical Data

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Computed Properties

IUPAC Name:	methyl 2-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanoate
Description:	Methyl 2-(4,6-Dihydroxy-5-pyrimidinyl)propanoate (CAS# 2006277-39-8 ) is a useful research chemical.
Molecular Weight:	198.18
Molecular Formula:	C8H10N2O4
Canonical SMILES:	CC(C1=C(N=CNC1=O)O)C(=O)OC
InChI:	InChI=1S/C8H10N2O4/c1-4(8(13)14-2)5-6(11)9-3-10-7(5)12/h3-4H,1-2H3,(H2,9,10,11,12)
InChI Key:	XKYWQWXYLFXGSE-UHFFFAOYSA-N

Publication Number	Title	Priority Date
AU-2017265769-A1	Novel 5H-Pyrrolo(2,3-D)Pyrimidin-6(7H)-one derivative	20160520
AU-2017265769-B2	Novel 5H-Pyrrolo(2,3-D)Pyrimidin-6(7H)-one derivative	20160520
AU-2017265769-B9	Novel 5H-Pyrrolo(2,3-D)Pyrimidin-6(7H)-one derivative	20160520
CA-3024831-A1	Novel 5h-pyrrolo[2,3-d]pyrimidin-6(7h)-one derivative	20160520
EP-3459953-A1	Novel 5h-pyrrolo[2,3-d]pyrimidin-6(7h)-one derivative	20160520

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Complexity:	332
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	198.0640568
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	198.0640568
Rotatable Bond Count:	3
Topological Polar Surface Area:	88
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.5