Name: Name:2-Furanbutanenitrile, γ-oxo-
Brand: Angene
SKU: AG002749
Rating: 90 (10 reviews)

2-Furanbutanenitrile, γ-oxo-

CAS No.:

17960-37-1

Catalog Number:

AG002749

Molecular Formula:

C8H7NO2

Molecular Weight:

149.1467

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Product Description

Catalog Number:

AG002749

Chemical Name:

2-Furanbutanenitrile, γ-oxo-

CAS Number:

17960-37-1

Molecular Formula:

C8H7NO2

Molecular Weight:

149.1467

MDL Number:

MFCD04114933

IUPAC Name:

4-(furan-2-yl)-4-oxobutanenitrile

InChI:

InChI=1S/C8H7NO2/c9-5-1-3-7(10)8-4-2-6-11-8/h2,4,6H,1,3H2

InChI Key:

LRONFAVNHGEYPX-UHFFFAOYSA-N

SMILES:

N#CCCC(=O)c1ccco1

Properties

Complexity:

192

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

149.048g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

149.149g/mol

Monoisotopic Mass:

149.048g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

54A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.1

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101