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70828-52-3 | Butanenitrile, 3,3-diethoxy-
CAS No: 70828-52-3 Catalog No: AG005FTY MDL No:
Product Description
Catalog Number:
AG005FTY
Chemical Name:
Butanenitrile, 3,3-diethoxy-
CAS Number:
70828-52-3
Molecular Formula:
C8H15NO2
Molecular Weight:
157.2102
IUPAC Name:
3,3-diethoxybutanenitrile
InChI:
InChI=1S/C8H15NO2/c1-4-10-8(3,6-7-9)11-5-2/h4-6H2,1-3H3
InChI Key:
WASNJGNSVLBQGZ-UHFFFAOYSA-N
SMILES:
CCOC(CC#N)(OCC)C
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.11g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.213g/mol
Monoisotopic Mass:
157.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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