Ethyl 2-cyanobenzoate - CAS 6525-45-7

Name: Ethyl 2-cyanobenzoate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB032681
Product Name:	Ethyl 2-cyanobenzoate
CAS:	6525-45-7
Synonyms:	ethyl 2-cyanobenzoate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 2-cyanobenzoate
Description:	Ethyl 2-cyanobenzoate (CAS# 6525-45-7) is a useful research chemical.
Molecular Weight:	175.18
Molecular Formula:	C10H9NO2
Canonical SMILES:	CCOC(=O)C1=CC=CC=C1C#N
InChI:	InChI=1S/C10H9NO2/c1-2-13-10(12)9-6-4-3-5-8(9)7-11/h3-6H,2H2,1H3
InChI Key:	RQQAJOJDAZNFPF-UHFFFAOYSA-N
Boiling Point:	308.5 °C at 760 mmHg
Density:	1.14 g/cm³
MDL:	MFCD03423595
LogP:	1.73498

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]C5H10ClNO
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[1383427-98-2]C7H13ClN2O2
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[35153-16-3]C16H30O2
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[1035840-45-9]C14H16N2O4
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[956439-56-8]C6H5N3O6
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Publication Number	Title	Priority Date
CN-109912414-B	Preparation method and application of 4-formaldehyde oxime ethyl benzoate	20190411
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CN-107353176-A	A kind of method, the deuterated methyl compound of the aromatic series being prepared and its application that cyano group is catalytically converted into deuterated methyl	20170811
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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:	2.5