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161718-81-6 | 1,3-Benzenedicarbonitrile, 4-(2-methylpropoxy)-
CAS No: 161718-81-6 Catalog No: AG001VTR MDL No:MFCD13185905
Product Description
Catalog Number:
AG001VTR
Chemical Name:
1,3-Benzenedicarbonitrile, 4-(2-methylpropoxy)-
CAS Number:
161718-81-6
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
MDL Number:
MFCD13185905
IUPAC Name:
4-(2-methylpropoxy)benzene-1,3-dicarbonitrile
InChI:
InChI=1S/C12H12N2O/c1-9(2)8-15-12-4-3-10(6-13)5-11(12)7-14/h3-5,9H,8H2,1-2H3
InChI Key:
CTQZRQNRVCZKOE-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C#N)ccc1OCC(C)C
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.241g/mol
Monoisotopic Mass:
200.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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