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139619-77-5 | Pentanenitrile, 4-(methoxymethoxy)-4-methyl-
CAS No: 139619-77-5 Catalog No: AG001BE9 MDL No:
Product Description
Catalog Number:
AG001BE9
Chemical Name:
Pentanenitrile, 4-(methoxymethoxy)-4-methyl-
CAS Number:
139619-77-5
Molecular Formula:
C8H15NO2
Molecular Weight:
157.2102
IUPAC Name:
4-(methoxymethoxy)-4-methylpentanenitrile
InChI:
InChI=1S/C8H15NO2/c1-8(2,5-4-6-9)11-7-10-3/h4-5,7H2,1-3H3
InChI Key:
BVYIZGXZAWVWDO-UHFFFAOYSA-N
SMILES:
COCOC(CCC#N)(C)C
Properties
Complexity:
145
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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