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99395-88-7 molecular structure
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(4S)-4-phenyl-1,3-oxazolidin-2-one

ChemBase ID: 798480
Molecular Formular: C9H9NO2
Molecular Mass: 163.17326
Monoisotopic Mass: 163.06332853
SMILES and InChIs

SMILES:
O1C(=O)N[C@H](C1)c1ccccc1
Canonical SMILES:
O=C1OC[C@@H](N1)c1ccccc1
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
InChIKey:
QDMNNMIOWVJVLY-MRVPVSSYSA-N

Cite this record

CBID:798480 http://www.chembase.cn/molecule-798480.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(4S)-4-phenyl-1,3-oxazolidin-2-one
IUPAC Traditional name
(4S)-4-phenyl-1,3-oxazolidin-2-one
Synonyms
(s)-(+)-4-phenyl-2-oxazolidinone
CAS Number
99395-88-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.515766  H Acceptors
H Donor LogD (pH = 5.5) 1.425394 
LogD (pH = 7.4) 1.4253912  Log P 1.425394 
Molar Refractivity 43.3 cm3 Polarizability 17.026276 Å3
Polar Surface Area 38.33 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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