Methyl 2-Carbamoylbenzoate - CAS 90564-02-6

Catalog:	BB039893
Product Name:	Methyl 2-Carbamoylbenzoate
CAS:	90564-02-6
Synonyms:	2-carbamoylbenzoic acid methyl ester; methyl 2-carbamoylbenzoate

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Computed Properties

IUPAC Name:	methyl 2-carbamoylbenzoate
Description:	Methyl 2-Carbamoylbenzoate (CAS# 90564-02-6 ) is a useful research chemical.
Molecular Weight:	179.17
Molecular Formula:	C9H9NO3
Canonical SMILES:	COC(=O)C1=CC=CC=C1C(=O)N
InChI:	InChI=1S/C9H9NO3/c1-13-9(12)7-5-3-2-4-6(7)8(10)11/h2-5H,1H3,(H2,10,11)
InChI Key:	ZZOHVJNFBQBFNG-UHFFFAOYSA-N
LogP:	1.45630

Publication Number	Title	Priority Date
EP-3896521-A1	Polymer, photosensitive resin composition, patterning method, method of forming cured film, interlayer insulating film, surface protective film, and electronic component	20200414
US-2021317268-A1	Polymer, photosensitive resin composition, patterning method, method of forming cured film, interlayer insulating film, surface protective film, and electronic component	20200414
US-2019216084-A1	Compositions And Methods For Killing Insect And Non-Insect Pests	20180116
WO-2019143506-A1	Compositions and methods for killing insect and non-insect pests	20180116
US-2019225591-A1	Process for preparing 5-phenoxy-1(3)isobenzofuranone	20170128

PMID	Publication Date	Title	Journal
11983535	20020701	Synthesis and cytotoxic activity of N-(2-diethylamino)ethylcarboxamide and other derivatives of 10H-quindoline	Bioorganic & medicinal chemistry

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Complexity:	215
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	179.058243149
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	179.058243149
Rotatable Bond Count:	3
Topological Polar Surface Area:	69.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5