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1060817-48-2 molecular structure
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(5-cyclopropyl-1,2-oxazol-3-yl)methanol

ChemBase ID: 143664
Molecular Formular: C7H9NO2
Molecular Mass: 139.15186
Monoisotopic Mass: 139.06332853
SMILES and InChIs

SMILES:
c1c(noc1C1CC1)CO
Canonical SMILES:
OCc1noc(c1)C1CC1
InChI:
InChI=1S/C7H9NO2/c9-4-6-3-7(10-8-6)5-1-2-5/h3,5,9H,1-2,4H2
InChIKey:
NUYRQGMZXHHVQB-UHFFFAOYSA-N

Cite this record

CBID:143664 http://www.chembase.cn/molecule-143664.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(5-cyclopropyl-1,2-oxazol-3-yl)methanol
IUPAC Traditional name
(5-cyclopropyl-1,2-oxazol-3-yl)methanol
Synonyms
(5-Cyclopropyl-3-isoxazolyl)methanol
(5-cyclopropyl-3-isoxazolyl)methanol
CAS Number
1060817-48-2
MDL Number
MFCD11053969
PubChem SID
162237881
PubChem CID
28065039

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 28065039 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.758732  H Acceptors
H Donor LogD (pH = 5.5) 0.27524346 
LogD (pH = 7.4) 0.2752438  Log P 0.27524397 
Molar Refractivity 36.1368 cm3 Polarizability 13.534552 Å3
Polar Surface Area 46.26 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Empirical Formula (Hill Notation)
C7H9NO2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - CBR00060 external link
Other Notes
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Legal Information
Product of ChemBridge Corp.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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