CAS 90719-32-7 | (S)-4-Benzyl-2-oxazolidinone | CAS Number 90719-32-7

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90719-32-7 | (S)-4-Benzyl-2-oxazolidinone

CAS No: 90719-32-7 Catalog No: AG0032H9 MDL No:MFCD00064496

Product Description

Catalog Number:

AG0032H9

Chemical Name:

(S)-4-Benzyl-2-oxazolidinone

CAS Number:

90719-32-7

Molecular Formula:

C10H11NO2

Molecular Weight:

177.1998

MDL Number:

MFCD00064496

IUPAC Name:

(4S)-4-benzyl-1,3-oxazolidin-2-one

InChI:

InChI=1S/C10H11NO2/c12-10-11-9(7-13-10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12)/t9-/m0/s1

InChI Key:

OJOFMLDBXPDXLQ-VIFPVBQESA-N

SMILES:

O=C1OC[C@@H](N1)Cc1ccccc1

Properties

Complexity:

187

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

177.079g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

177.203g/mol

Monoisotopic Mass:

177.079g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

38.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7

Literature

Title	Journal
A biomimetic polyketide-inspired approach to small-molecule ligand discovery.	Nature chemistry 20120201
Enantioselective synthesis of N(alpha)-Fmoc protected (2S,3R)-3-phenylpipecolic acid. A constrained phenylalanine analogue suitably protected for solid-phase peptide synthesis.	The Journal of organic chemistry 20020308