Home Nitriles 2-(4-methoxy-2,3-dihydro-1-benzofuran-2-yl)acetonitrile

2-(4-methoxy-2,3-dihydro-1-benzofuran-2-yl)acetonitrile

CAS No.:
1443979-63-2
Catalog Number:
AG01A5MI
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
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Product Description
Catalog Number:
AG01A5MI
Chemical Name:
2-(4-methoxy-2,3-dihydro-1-benzofuran-2-yl)acetonitrile
CAS Number:
1443979-63-2
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
MDL Number:
MFCD24842967
IUPAC Name:
2-(4-methoxy-2,3-dihydro-1-benzofuran-2-yl)acetonitrile
InChI:
InChI=1S/C11H11NO2/c1-13-10-3-2-4-11-9(10)7-8(14-11)5-6-12/h2-4,8H,5,7H2,1H3
InChI Key:
CLVGBWZRFVMNPB-UHFFFAOYSA-N
SMILES:
N#CCC1Oc2c(C1)c(OC)ccc2
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:
2  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties