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572923-10-5 | (S)-4-(4-ETHYL-2-OXOOXAZOLIDIN-3-YL)BENZONITRILE
CAS No: 572923-10-5 Catalog No: AG00EGM3 MDL No:
Product Description
Catalog Number:
AG00EGM3
Chemical Name:
(S)-4-(4-ETHYL-2-OXOOXAZOLIDIN-3-YL)BENZONITRILE
CAS Number:
572923-10-5
IUPAC Name:
4-[(4S)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]benzonitrile
InChI:
InChI=1S/C12H12N2O2/c1-2-10-8-16-12(15)14(10)11-5-3-9(7-13)4-6-11/h3-6,10H,2,8H2,1H3/t10-/m0/s1
InChI Key:
MECFZMGPVLWYLK-JTQLQIEISA-N
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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