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162104115 molecular structure
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4-phenylmorpholine-2,6-dione

ChemBase ID: 72323
Molecular Formular: C10H9NO3
Molecular Mass: 191.18336
Monoisotopic Mass: 191.05824315
SMILES and InChIs

SMILES:
C1C(=O)OC(=O)CN1c1ccccc1
Canonical SMILES:
O=C1CN(CC(=O)O1)c1ccccc1
InChI:
InChI=1S/C10H9NO3/c12-9-6-11(7-10(13)14-9)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey:
WTGUVSDJPJNUEO-UHFFFAOYSA-N

Cite this record

CBID:72323 http://www.chembase.cn/molecule-72323.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-phenylmorpholine-2,6-dione
IUPAC Traditional name
4-phenylmorpholine-2,6-dione
Synonyms
4-Phenylmorpholine-2,6-dione
PubChem SID
162104115
PubChem CID
563219

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 563219 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.1714283  LogD (pH = 7.4) 1.1714283 
Log P 1.1714283  Molar Refractivity 49.4504 cm3
Polarizability 18.976343 Å3 Polar Surface Area 46.61 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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