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88226-23-7 | Benzonitrile, 4-[3-(3-furanyl)-3-isoxazolidinyl]-
CAS No: 88226-23-7 Catalog No: AG008B8Y MDL No:
Product Description
Catalog Number:
AG008B8Y
Chemical Name:
Benzonitrile, 4-[3-(3-furanyl)-3-isoxazolidinyl]-
CAS Number:
88226-23-7
Molecular Formula:
C14H12N2O2
Molecular Weight:
240.2573
IUPAC Name:
4-[3-(furan-3-yl)-1,2-oxazolidin-3-yl]benzonitrile
InChI:
InChI=1S/C14H12N2O2/c15-9-11-1-3-12(4-2-11)14(6-8-18-16-14)13-5-7-17-10-13/h1-5,7,10,16H,6,8H2
InChI Key:
JJLJSCDFTRAVPP-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C1(NOCC1)c1cocc1
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.09g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.262g/mol
Monoisotopic Mass:
240.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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