Name: Name:Bicyclo[2.2.1]hept-5-ene-2-carbonitrile, (1R,2R,4R)-rel-
Brand: Angene
SKU: AG002WXV
Rating: 90 (10 reviews)

Bicyclo[2.2.1]hept-5-ene-2-carbonitrile, (1R,2R,4R)-rel-

CAS No.:

2888-90-6

Catalog Number:

AG002WXV

Molecular Formula:

C8H9N

Molecular Weight:

119.1638

Catalog Number:

AG002WXV

Chemical Name:

Bicyclo[2.2.1]hept-5-ene-2-carbonitrile, (1R,2R,4R)-rel-

CAS Number:

2888-90-6

Molecular Formula:

C8H9N

Molecular Weight:

119.1638

MDL Number:

MFCD01711466

IUPAC Name:

(1R,2R,4R)-bicyclo[2.2.1]hept-5-ene-2-carbonitrile

InChI:

InChI=1S/C8H9N/c9-5-8-4-6-1-2-7(8)3-6/h1-2,6-8H,3-4H2/t6-,7+,8+/m1/s1

InChI Key:

BMAXQTDMWYDIJX-CSMHCCOUSA-N

SMILES:

N#C[C@@H]1C[C@H]2C[C@@H]1C=C2

Complexity:

196

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

119.073g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

119.167g/mol

Monoisotopic Mass:

119.073g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

23.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4