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87190-43-0 | 5-Isoxazolidinecarbonitrile, 2-methyl-3-phenyl-, cis-
CAS No: 87190-43-0 Catalog No: AG004NKX MDL No:
Product Description
Catalog Number:
AG004NKX
Chemical Name:
5-Isoxazolidinecarbonitrile, 2-methyl-3-phenyl-, cis-
CAS Number:
87190-43-0
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
IUPAC Name:
(3R,5S)-2-methyl-3-phenyl-1,2-oxazolidine-5-carbonitrile
InChI:
InChI=1S/C11H12N2O/c1-13-11(7-10(8-12)14-13)9-5-3-2-4-6-9/h2-6,10-11H,7H2,1H3/t10-,11+/m0/s1
InChI Key:
OHYKONFYCOMUDI-WDEREUQCSA-N
SMILES:
CN1O[C@@H](C[C@@H]1c1ccccc1)C#N
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
188.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.23g/mol
Monoisotopic Mass:
188.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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