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89775-53-1 | Pentanenitrile, 5-(acetyloxy)-
CAS No: 89775-53-1 Catalog No: AG003YOA MDL No:
Product Description
Catalog Number:
AG003YOA
Chemical Name:
Pentanenitrile, 5-(acetyloxy)-
CAS Number:
89775-53-1
Molecular Formula:
C7H11NO2
Molecular Weight:
141.1677
IUPAC Name:
4-cyanobutyl acetate
InChI:
InChI=1S/C7H11NO2/c1-7(9)10-6-4-2-3-5-8/h2-4,6H2,1H3
InChI Key:
HUEPOYQRBGXTSL-UHFFFAOYSA-N
SMILES:
N#CCCCCOC(=O)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:
141.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
141.17g/mol
Monoisotopic Mass:
141.079g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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