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1010798-64-7 | 2H-Pyran-4-propanenitrile, tetrahydro-β-oxo-
CAS No: 1010798-64-7 Catalog No: AG0003NQ MDL No:MFCD17016045
Product Description
Catalog Number:
AG0003NQ
Chemical Name:
2H-Pyran-4-propanenitrile, tetrahydro-β-oxo-
CAS Number:
1010798-64-7
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
MDL Number:
MFCD17016045
IUPAC Name:
3-(oxan-4-yl)-3-oxopropanenitrile
InChI:
InChI=1S/C8H11NO2/c9-4-1-8(10)7-2-5-11-6-3-7/h7H,1-3,5-6H2
InChI Key:
BEMLWTKUQPQXNH-UHFFFAOYSA-N
SMILES:
N#CCC(=O)C1CCOCC1
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.079g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
153.181g/mol
Monoisotopic Mass:
153.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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