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164468-78-4 | 1,2-Benzenedicarbonitrile, 4-[(tetrahydro-2-furanyl)methoxy]-
CAS No: 164468-78-4 Catalog No: AG001UWY MDL No:
Product Description
Catalog Number:
AG001UWY
Chemical Name:
1,2-Benzenedicarbonitrile, 4-[(tetrahydro-2-furanyl)methoxy]-
CAS Number:
164468-78-4
Molecular Formula:
C13H12N2O2
Molecular Weight:
228.2466
IUPAC Name:
4-(oxolan-2-ylmethoxy)benzene-1,2-dicarbonitrile
InChI:
InChI=1S/C13H12N2O2/c14-7-10-3-4-12(6-11(10)8-15)17-9-13-2-1-5-16-13/h3-4,6,13H,1-2,5,9H2
InChI Key:
JOVKLBWLOULTSX-UHFFFAOYSA-N
SMILES:
N#Cc1cc(OCC2CCCO2)ccc1C#N
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.251g/mol
Monoisotopic Mass:
228.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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