Methyl 2-Imidazolecarboxylate - CAS 17334-09-7

Catalog:	BB012916
Product Name:	Methyl 2-Imidazolecarboxylate
CAS:	17334-09-7
Synonyms:	1H-imidazole-2-carboxylic acid methyl ester; methyl 1H-imidazole-2-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 1H-imidazole-2-carboxylate
Description:	Methyl 2-Imidazolecarboxylate (CAS# 17334-09-7) is a useful research chemical.
Molecular Weight:	126.11
Molecular Formula:	C5H6N2O2
Canonical SMILES:	COC(=O)C1=NC=CN1
InChI:	InChI=1S/C5H6N2O2/c1-9-5(8)4-6-2-3-7-4/h2-3H,1H3,(H,6,7)
InChI Key:	JTAQRDQNFANUEK-UHFFFAOYSA-N
LogP:	0.19630

Publication Number	Title	Priority Date
WO-2021041671-A1	Kras g12d inhibitors	20190829
WO-2020244637-A1	Tricyclic compounds and their use	20190606
CN-110590609-A	Fluorine-containing sulfonyl compound, intermediate, preparation method and application thereof	20180613
WO-2019101132-A1	Fluorosulfonyl-containing compound, intermediate thereof, preparation method therefor and use thereof	20171122
EP-3715342-A1	Fluorosulfonyl-containing compound, intermediate thereof, preparation method therefor and use thereof	20171122

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Complexity:	116
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	126.042927438
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	126.042927438
Rotatable Bond Count:	2
Topological Polar Surface Area:	55
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2