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353265-77-7 | 3-(2-oxo-1,3-oxazolidin-3-yl)benzonitrile
CAS No: 353265-77-7 Catalog No: AG01AJXX MDL No:MFCD02946489
Product Description
Catalog Number:
AG01AJXX
Chemical Name:
3-(2-oxo-1,3-oxazolidin-3-yl)benzonitrile
CAS Number:
353265-77-7
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
MDL Number:
MFCD02946489
IUPAC Name:
3-(2-oxo-1,3-oxazolidin-3-yl)benzonitrile
InChI:
InChI=1S/C10H8N2O2/c11-7-8-2-1-3-9(6-8)12-4-5-14-10(12)13/h1-3,6H,4-5H2
InChI Key:
OXIRRKMUBOFATG-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)N1CCOC1=O
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.059g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.186g/mol
Monoisotopic Mass:
188.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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