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100924-63-8 | Butanenitrile, 4,4-dimethoxy-2-methyl-
CAS No: 100924-63-8 Catalog No: AG00037E MDL No:
Product Description
Catalog Number:
AG00037E
Chemical Name:
Butanenitrile, 4,4-dimethoxy-2-methyl-
CAS Number:
100924-63-8
Molecular Formula:
C7H13NO2
Molecular Weight:
143.1836
IUPAC Name:
4,4-dimethoxy-2-methylbutanenitrile
InChI:
InChI=1S/C7H13NO2/c1-6(5-8)4-7(9-2)10-3/h6-7H,4H2,1-3H3
InChI Key:
DIUBHTLLLUTGDO-UHFFFAOYSA-N
SMILES:
COC(CC(C#N)C)OC
Properties
Complexity:
123
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.095g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
143.186g/mol
Monoisotopic Mass:
143.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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