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Methyl 5-[(4-cyanophenoxy)methyl]-2-furoate

Methyl 5-[(4-cyanophenoxy)methyl]-2-furoate - CAS 406470-75-5

Catalog:	BB051844
Product Name:	Methyl 5-[(4-cyanophenoxy)methyl]-2-furoate
CAS:	406470-75-5
Synonyms:	5-(4-Cyano-phenoxymethyl)-furan-2-carboxylic acid methyl ester

Technical Data

Computed Properties

IUPAC Name:	methyl 5-[(4-cyanophenoxy)methyl]furan-2-carboxylate
Molecular Weight:	257.24
Molecular Formula:	C14H11NO4
Canonical SMILES:	COC(=O)C1=CC=C(O1)COC2=CC=C(C=C2)C#N
InChI:	InChI=1S/C14H11NO4/c1-17-14(16)13-7-6-12(19-13)9-18-11-4-2-10(8-15)3-5-11/h2-7H,9H2,1H3
InChI Key:	OKPUMERWJRCRRJ-UHFFFAOYSA-N
Boiling Point:	429.2±40.0 °C at 760 mmHg
Purity:	97%
Density:	1.3±0.1 g/cm3
Solubility:	7 [ug/mL] (The mean of the results at pH 7.4)

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Related Functional Groups

Arenes

[58287-18-6]
(1R)-1-(4-Nitrophenyl)ethanol
[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[90817-87-1]
5,6,7-trimethyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-1-one
[52159-67-8]
Methyl 3-chloro-2-hydroxybenzoate
[1292836-16-8]
1-(4-Chloro-2-fluoro-5-nitrophenyl)ethanone
[81574-05-2]
N-Benzyl-1-methyl-1H-pyrazol-3-amine

Carbonyl Compounds

[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

Furans

[438222-01-6]
5-[(2-Isopropyl-5-methylphenoxy)methyl]-2-furohydrazide
[438218-12-3]
5-[(2-Methoxyphenoxy)methyl]furan-2-carbaldehyde
[438220-93-0]
5-[(Pentachlorophenoxy)methyl]-2-furaldehyde
[937598-55-5]
6-(Furan-2-yl)-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carbohydrazide
[893645-73-3]
6-(Furan-2-yl)-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[676643-01-9]
Ethyl 7-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

Oxygen Compounds

[544-62-7]
Batyl alcohol
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[5416-55-7]
2,2,6,6-Tetrakis(hydroxymethyl)cyclohexanol
[35989-28-7]
2,5-Dichloro-4-fluorobenzoic acid
[88-60-8]
2-tert-Butyl-5-methylphenol

Complexity:	354
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	257.06880783
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	257.06880783
Rotatable Bond Count:	5
Topological Polar Surface Area:	72.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4