3-Methoxybenzoylacetonitrile - CAS 21667-60-7

Catalog:	BB017059
Product Name:	3-Methoxybenzoylacetonitrile
CAS:	21667-60-7
Synonyms:	3-(3-methoxyphenyl)-3-oxopropanenitrile; 3-(3-methoxyphenyl)-3-oxopropanenitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	3-(3-methoxyphenyl)-3-oxopropanenitrile
Description:	3-Methoxybenzoylacetonitrile (CAS# 21667-60-7) is a useful research chemical.
Molecular Weight:	175.18
Molecular Formula:	C10H9NO2
Canonical SMILES:	COC1=CC=CC(=C1)C(=O)CC#N
InChI:	InChI=1S/C10H9NO2/c1-13-9-4-2-3-8(7-9)10(12)5-6-11/h2-4,7H,5H2,1H3
InChI Key:	HWXOHKGATNULJP-UHFFFAOYSA-N
Boiling Point:	331.8 °C at 760 mmHg
Density:	1.131 g/cm³
MDL:	MFCD01566517
LogP:	1.79158

Publication Number	Title	Priority Date
CN-113264774-A	SiC crystal synthesized by seed induced microwave and preparation method thereof	20210624
CN-113214112-A	Beta-amino acrylate substituted acetonitrile compound and preparation method and application thereof	20210518
CN-112876482-A	Polysubstituted heterocyclic derivative, preparation method and medical application thereof	20201231
WO-2021204850-A1	Biocatalytic synthesis of monomer mixtures for polyacrylamide manufacturing	20200409
WO-2021151062-A1	Heterocyclic compounds and uses thereof	20200124

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Related Functional Groups

Carbonyl Compounds

[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride
[59855-96-8]
2-(Methoxymethyl)thiazole-5-carboxylic Acid
[1018168-48-3]
2-[(5-Methyl-1,2-oxazol-3-yl)methoxy]acetic acid
[151585-93-2]
2-Amino-6-fluorobenzaldehyde
[5000-66-8]
2-Bromo-2'-chloroacetophenone

Complexity:	228
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	175.06332853
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	175.06332853
Rotatable Bond Count:	3
Topological Polar Surface Area:	50.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7