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114479-72-0 | Butanenitrile, 3,3'-oxybis-
CAS No: 114479-72-0 Catalog No: AG000EI4 MDL No:
Product Description
Catalog Number:
AG000EI4
Chemical Name:
Butanenitrile, 3,3'-oxybis-
CAS Number:
114479-72-0
Molecular Formula:
C8H12N2O
Molecular Weight:
152.1937
IUPAC Name:
3-(1-cyanopropan-2-yloxy)butanenitrile
InChI:
InChI=1S/C8H12N2O/c1-7(3-5-9)11-8(2)4-6-10/h7-8H,3-4H2,1-2H3
InChI Key:
HVKVEEQZTCWTOA-UHFFFAOYSA-N
SMILES:
CC(CC#N)OC(CC#N)C
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.095g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.197g/mol
Monoisotopic Mass:
152.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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