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3386-87-6 | ETHYLENE GLYCOL BIS(PROPIONITRILE) ETHER
CAS No: 3386-87-6 Catalog No: AG003QIB MDL No:MFCD00019871
Product Description
Catalog Number:
AG003QIB
Chemical Name:
ETHYLENE GLYCOL BIS(PROPIONITRILE) ETHER
CAS Number:
3386-87-6
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
MDL Number:
MFCD00019871
IUPAC Name:
3-[2-(2-cyanoethoxy)ethoxy]propanenitrile
InChI:
InChI=1S/C8H12N2O2/c9-3-1-5-11-7-8-12-6-2-4-10/h1-2,5-8H2
InChI Key:
VTHRQKSLPFJQHN-UHFFFAOYSA-N
SMILES:
N#CCCOCCOCCC#N
EC Number:
222-208-2
UNII:
233IZ4495B
NSC Number:
69063
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.196g/mol
Monoisotopic Mass:
168.09g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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