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101986-32-7 | 3-Oxazolidineacetonitrile, 4-phenyl-, (4R)-
CAS No: 101986-32-7 Catalog No: AG000661 MDL No:
Product Description
Catalog Number:
AG000661
Chemical Name:
3-Oxazolidineacetonitrile, 4-phenyl-, (4R)-
CAS Number:
101986-32-7
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
IUPAC Name:
2-[(4R)-4-phenyl-1,3-oxazolidin-3-yl]acetonitrile
InChI:
InChI=1S/C11H12N2O/c12-6-7-13-9-14-8-11(13)10-4-2-1-3-5-10/h1-5,11H,7-9H2/t11-/m0/s1
InChI Key:
HCCRKULUUAPCGT-NSHDSACASA-N
SMILES:
N#CCN1COC[C@H]1c1ccccc1
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
2
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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