Name: Name:2-(1,3-Dioxo-1H-inden-2(3H)-ylidene)malononitrile
Brand: Angene
SKU: AG003F11
Rating: 90 (10 reviews)

2-(1,3-Dioxo-1H-inden-2(3H)-ylidene)malononitrile

CAS No.:

16954-74-8

Catalog Number:

AG003F11

Molecular Formula:

C12H4N2O2

Molecular Weight:

208.1724

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

Product Description

Catalog Number:

AG003F11

Chemical Name:

2-(1,3-Dioxo-1H-inden-2(3H)-ylidene)malononitrile

CAS Number:

16954-74-8

Molecular Formula:

C12H4N2O2

Molecular Weight:

208.1724

MDL Number:

MFCD00051930

IUPAC Name:

2-(1,3-dioxoinden-2-ylidene)propanedinitrile

InChI:

InChI=1S/C12H4N2O2/c13-5-7(6-14)10-11(15)8-3-1-2-4-9(8)12(10)16/h1-4H

InChI Key:

WQFLMIPTYDGFOB-UHFFFAOYSA-N

SMILES:

N#CC(=C1C(=O)c2c(C1=O)cccc2)C#N

Properties

Complexity:

454

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

208.027g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

208.176g/mol

Monoisotopic Mass:

208.027g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

81.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3

Literature

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

Properties