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934-44-1 | 3-(2-oxotetrahydrofuran-3-yl)propanenitrile
CAS No: 934-44-1 Catalog No: AG006FXM MDL No:
Product Description
Catalog Number:
AG006FXM
Chemical Name:
3-(2-oxotetrahydrofuran-3-yl)propanenitrile
CAS Number:
934-44-1
Molecular Formula:
C7H9NO2
Molecular Weight:
139.1519
IUPAC Name:
3-(2-oxooxolan-3-yl)propanenitrile
InChI:
InChI=1S/C7H9NO2/c8-4-1-2-6-3-5-10-7(6)9/h6H,1-3,5H2
InChI Key:
BXPCWVZARVBVKM-UHFFFAOYSA-N
SMILES:
C(C1CCOC1=O)CC#N
NSC Number:
134334
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.063g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
139.154g/mol
Monoisotopic Mass:
139.063g/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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