Home Nitriles 2-(2,3-dihydro-1,4-benzodioxin-5-yl)acetonitrile

2-(2,3-dihydro-1,4-benzodioxin-5-yl)acetonitrile

CAS No.:
214894-99-2
Catalog Number:
AG01BKFT
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
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Product Description
Catalog Number:
AG01BKFT
Chemical Name:
2-(2,3-dihydro-1,4-benzodioxin-5-yl)acetonitrile
CAS Number:
214894-99-2
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
MDL Number:
MFCD22414305
IUPAC Name:
2-(2,3-dihydro-1,4-benzodioxin-5-yl)acetonitrile
InChI:
InChI=1S/C10H9NO2/c11-5-4-8-2-1-3-9-10(8)13-7-6-12-9/h1-3H,4,6-7H2
InChI Key:
GKAGRAYRWQQHCG-UHFFFAOYSA-N
SMILES:
N#CCc1cccc2c1OCCO2
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.063g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties