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13332-71-3 | 3-Furancarbonitrile, 2,5-dihydro-4,5,5-trimethyl-2-oxo-
CAS No: 13332-71-3 Catalog No: AG0014MF MDL No:
Product Description
Catalog Number:
AG0014MF
Chemical Name:
3-Furancarbonitrile, 2,5-dihydro-4,5,5-trimethyl-2-oxo-
CAS Number:
13332-71-3
Molecular Formula:
C8H9NO2
Molecular Weight:
151.1626
IUPAC Name:
4,5,5-trimethyl-2-oxofuran-3-carbonitrile
InChI:
InChI=1S/C8H9NO2/c1-5-6(4-9)7(10)11-8(5,2)3/h1-3H3
InChI Key:
NCNIWBWHBLDYKH-UHFFFAOYSA-N
SMILES:
N#CC1=C(C)C(OC1=O)(C)C
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.063g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.165g/mol
Monoisotopic Mass:
151.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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