Name: Name:4H-1,4-Benzoxazine-4-propanenitrile,2,3-dihydro-3-oxo-
Brand: Angene
SKU: AG007MWO
Rating: 90 (10 reviews)

4H-1,4-Benzoxazine-4-propanenitrile,2,3-dihydro-3-oxo-

CAS No.:

23866-12-8

Catalog Number:

AG007MWO

Molecular Formula:

C11H10N2O2

Molecular Weight:

202.2093

Catalog Number:

AG007MWO

Chemical Name:

4H-1,4-Benzoxazine-4-propanenitrile,2,3-dihydro-3-oxo-

CAS Number:

23866-12-8

Molecular Formula:

C11H10N2O2

Molecular Weight:

202.2093

MDL Number:

MFCD01834019

IUPAC Name:

3-(3-oxo-1,4-benzoxazin-4-yl)propanenitrile

InChI:

InChI=1S/C11H10N2O2/c12-6-3-7-13-9-4-1-2-5-10(9)15-8-11(13)14/h1-2,4-5H,3,7-8H2

InChI Key:

CJQMJEYOWARPGD-UHFFFAOYSA-N

SMILES:

N#CCCN1C(=O)COc2c1cccc2

Complexity:

294

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

202.074g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

202.213g/mol

Monoisotopic Mass:

202.074g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

53.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.7