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157140-89-1 | Propanenitrile, 2-methyl-3-(3-methylbutoxy)-
CAS No: 157140-89-1 Catalog No: AG001P8Q MDL No:
Product Description
Catalog Number:
AG001P8Q
Chemical Name:
Propanenitrile, 2-methyl-3-(3-methylbutoxy)-
CAS Number:
157140-89-1
Molecular Formula:
C9H17NO
Molecular Weight:
155.2374
IUPAC Name:
2-methyl-3-(3-methylbutoxy)propanenitrile
InChI:
InChI=1S/C9H17NO/c1-8(2)4-5-11-7-9(3)6-10/h8-9H,4-5,7H2,1-3H3
InChI Key:
HNEXSAPRDJXAPC-UHFFFAOYSA-N
SMILES:
N#CC(COCCC(C)C)C
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.131g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.241g/mol
Monoisotopic Mass:
155.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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