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572923-15-0 | (S)-2-(4-ETHYL-2-OXOOXAZOLIDIN-3-YL)BENZONITRILE
CAS No: 572923-15-0 Catalog No: AG00EDDJ MDL No:
Product Description
Catalog Number:
AG00EDDJ
Chemical Name:
(S)-2-(4-ETHYL-2-OXOOXAZOLIDIN-3-YL)BENZONITRILE
CAS Number:
572923-15-0
IUPAC Name:
2-[(4S)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]benzonitrile
InChI:
InChI=1S/C12H12N2O2/c1-2-10-8-16-12(15)14(10)11-6-4-3-5-9(11)7-13/h3-6,10H,2,8H2,1H3/t10-/m0/s1
InChI Key:
XJFJODZGHDFFQX-JTQLQIEISA-N
Properties
Complexity:
320
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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