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937796-15-1 molecular structure
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[2-(morpholine-4-sulfonyl)phenyl]methanol

ChemBase ID: 101513
Molecular Formular: C11H15NO4S
Molecular Mass: 257.3061
Monoisotopic Mass: 257.07217897
SMILES and InChIs

SMILES:
S(=O)(=O)(N1CCOCC1)c1c(CO)cccc1
Canonical SMILES:
OCc1ccccc1S(=O)(=O)N1CCOCC1
InChI:
InChI=1S/C11H15NO4S/c13-9-10-3-1-2-4-11(10)17(14,15)12-5-7-16-8-6-12/h1-4,13H,5-9H2
InChIKey:
BOQHDNNWBAICEW-UHFFFAOYSA-N

Cite this record

CBID:101513 http://www.chembase.cn/molecule-101513.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[2-(morpholine-4-sulfonyl)phenyl]methanol
IUPAC Traditional name
[2-(morpholine-4-sulfonyl)phenyl]methanol
Synonyms
[2-(morpholinosulfonyl)phenyl]methanol
CAS Number
937796-15-1
MDL Number
MFCD09817562
PubChem SID
162087165
PubChem CID
24229772

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Maybridge
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Data Source Data ID
PubChem 24229772 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.480419  H Acceptors
H Donor LogD (pH = 5.5) 0.0407785 
LogD (pH = 7.4) 0.04077846  Log P 0.0407785 
Molar Refractivity 63.8997 cm3 Polarizability 25.446968 Å3
Polar Surface Area 66.84 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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