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1248784-44-2 | 5-Benzofuranpropanenitrile, 2,3-dihydro-β-oxo-
CAS No: 1248784-44-2 Catalog No: AG000MU6 MDL No:
Product Description
Catalog Number:
AG000MU6
Chemical Name:
5-Benzofuranpropanenitrile, 2,3-dihydro-β-oxo-
CAS Number:
1248784-44-2
Molecular Formula:
C11H9NO2
Molecular Weight:
187.1947
IUPAC Name:
3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanenitrile
InChI:
InChI=1S/C11H9NO2/c12-5-3-10(13)8-1-2-11-9(7-8)4-6-14-11/h1-2,7H,3-4,6H2
InChI Key:
KZMZQUCPBMXZBR-UHFFFAOYSA-N
SMILES:
N#CCC(=O)C1OCC=C2C1=CC=C2
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.063g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.198g/mol
Monoisotopic Mass:
187.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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