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10232-91-4 | Propanenitrile, 3-(2-ethylbutoxy)-
CAS No: 10232-91-4 Catalog No: AG000779 MDL No:
Product Description
Catalog Number:
AG000779
Chemical Name:
Propanenitrile, 3-(2-ethylbutoxy)-
CAS Number:
10232-91-4
Molecular Formula:
C9H17NO
Molecular Weight:
155.2374
IUPAC Name:
3-(2-ethylbutoxy)propanenitrile
InChI:
InChI=1S/C9H17NO/c1-3-9(4-2)8-11-7-5-6-10/h9H,3-5,7-8H2,1-2H3
InChI Key:
HHTFLOIAOFXJDD-UHFFFAOYSA-N
SMILES:
CCC(COCCC#N)CC
EC Number:
233-555-4
Properties
Complexity:
121
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:
6
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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