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99395-88-7 | (S)-4-Phenyloxazolidin-2-one
CAS No: 99395-88-7 Catalog No: AG0032G4 MDL No:MFCD00043396
Product Description
Catalog Number:
AG0032G4
Chemical Name:
(S)-4-Phenyloxazolidin-2-one
CAS Number:
99395-88-7
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
MDL Number:
MFCD00043396
IUPAC Name:
(4S)-4-phenyl-1,3-oxazolidin-2-one
InChI:
InChI=1S/C9H9NO2/c11-9-10-8(6-12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,10,11)/t8-/m1/s1
InChI Key:
QDMNNMIOWVJVLY-MRVPVSSYSA-N
SMILES:
O=C1OC[C@@H](N1)c1ccccc1
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
163.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.176g/mol
Monoisotopic Mass:
163.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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