Name: Name:2-(4-oxo-octahydro-1-benzofuran-2-yl)acetonitrile
Brand: Angene
SKU: AG01A0YA
Rating: 90 (10 reviews)

2-(4-oxo-octahydro-1-benzofuran-2-yl)acetonitrile

CAS No.:

1423034-97-2

Catalog Number:

AG01A0YA

Molecular Formula:

C10H13NO2

Molecular Weight:

179.2157

Catalog Number:

AG01A0YA

Chemical Name:

2-(4-oxo-octahydro-1-benzofuran-2-yl)acetonitrile

CAS Number:

1423034-97-2

Molecular Formula:

C10H13NO2

Molecular Weight:

179.2157

MDL Number:

MFCD22628345

IUPAC Name:

2-(4-oxo-3,3a,5,6,7,7a-hexahydro-2H-1-benzofuran-2-yl)acetonitrile

InChI:

InChI=1S/C10H13NO2/c11-5-4-7-6-8-9(12)2-1-3-10(8)13-7/h7-8,10H,1-4,6H2

InChI Key:

XQKDQTWAYXXRQE-UHFFFAOYSA-N

SMILES:

N#CCC1OC2C(C1)C(=O)CCC2

Complexity:

265

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

179.095g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

179.219g/mol

Monoisotopic Mass:

179.095g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

50.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.2