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7692-89-9 | 2-Oxo-4-phenyl-2,5-dihydrofuran-3-carbonitrile
CAS No: 7692-89-9 Catalog No: AG005G2L MDL No:MFCD00100132
Product Description
Catalog Number:
AG005G2L
Chemical Name:
2-Oxo-4-phenyl-2,5-dihydrofuran-3-carbonitrile
CAS Number:
7692-89-9
Molecular Formula:
C11H7NO2
Molecular Weight:
185.1788
MDL Number:
MFCD00100132
IUPAC Name:
5-oxo-3-phenyl-2H-furan-4-carbonitrile
InChI:
InChI=1S/C11H7NO2/c12-6-9-10(7-14-11(9)13)8-4-2-1-3-5-8/h1-5H,7H2
InChI Key:
UVLDKEIZBJSYND-UHFFFAOYSA-N
SMILES:
N#CC1=C(COC1=O)c1ccccc1
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.048g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.182g/mol
Monoisotopic Mass:
185.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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