Home Other Building Blocks 2-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)PROPANENITRILE

2-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)PROPANENITRILE

CAS No.:
193885-35-7
Catalog Number:
AG01DW4O
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
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Product Description
Catalog Number:
AG01DW4O
Chemical Name:
2-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)PROPANENITRILE
CAS Number:
193885-35-7
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
MDL Number:
MFCD11537293
IUPAC Name:
2-(2,3-dihydro-1,4-benzodioxin-6-yl)propanenitrile
InChI:
InChI=1S/C11H11NO2/c1-8(7-12)9-2-3-10-11(6-9)14-5-4-13-10/h2-3,6,8H,4-5H2,1H3
InChI Key:
NITKDHSNCCWFKR-UHFFFAOYSA-N
SMILES:
N#CC(c1ccc2c(c1)OCCO2)C
Properties
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.079g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties