Name: Name:Tricyclo[3.3.1.1(3,7)]decane-1,3-dicarbonitrile
Brand: Angene
SKU: AG00EIT9
Rating: 90 (10 reviews)

Tricyclo[3.3.1.1(3,7)]decane-1,3-dicarbonitrile

CAS No.:

62472-38-2

Catalog Number:

AG00EIT9

Molecular Formula:

C12H14N2

Molecular Weight:

186.2530

Catalog Number:

AG00EIT9

Chemical Name:

Tricyclo[3.3.1.1(3,7)]decane-1,3-dicarbonitrile

CAS Number:

62472-38-2

Molecular Formula:

C12H14N2

Molecular Weight:

186.2530

MDL Number:

MFCD00233041

IUPAC Name:

adamantane-1,3-dicarbonitrile

InChI:

InChI=1S/C12H14N2/c13-7-11-2-9-1-10(4-11)5-12(3-9,6-11)8-14/h9-10H,1-6H2

InChI Key:

IKQLLMXNIOWBHF-UHFFFAOYSA-N

SMILES:

N#CC12CC3CC(C1)CC(C2)(C3)C#N

Complexity:

330

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

186.116g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

186.258g/mol

Monoisotopic Mass:

186.116g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

47.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5