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15657-96-2 | Propanenitrile, 2-(acetyloxy)-
CAS No: 15657-96-2 Catalog No: AG001OTH MDL No:
Product Description
Catalog Number:
AG001OTH
Chemical Name:
Propanenitrile, 2-(acetyloxy)-
CAS Number:
15657-96-2
Molecular Formula:
C5H7NO2
Molecular Weight:
113.1146
IUPAC Name:
1-cyanoethyl acetate
InChI:
InChI=1S/C5H7NO2/c1-4(3-6)8-5(2)7/h4H,1-2H3
InChI Key:
BMJFWKRWVAQUPA-UHFFFAOYSA-N
SMILES:
CC(C#N)OC(=O)C
NSC Number:
71940
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
113.048g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
113.116g/mol
Monoisotopic Mass:
113.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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