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14716-89-3 molecular structure
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(3-methyl-1,2-oxazol-5-yl)methanol

ChemBase ID: 77768
Molecular Formular: C5H7NO2
Molecular Mass: 113.11458
Monoisotopic Mass: 113.04767847
SMILES and InChIs

SMILES:
n1c(cc(o1)CO)C
Canonical SMILES:
Cc1cc(on1)CO
InChI:
InChI=1S/C5H7NO2/c1-4-2-5(3-7)8-6-4/h2,7H,3H2,1H3
InChIKey:
OFSDWHRZVRCPBR-UHFFFAOYSA-N

Cite this record

CBID:77768 http://www.chembase.cn/molecule-77768.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3-methyl-1,2-oxazol-5-yl)methanol
IUPAC Traditional name
(3-methyl-1,2-oxazol-5-yl)methanol
Synonyms
(3-methylisoxazol-5-yl)methanol
(3-Methylisoxazol-5-yl)methanol
5-(Hydroxymethyl)-3-methylisoxazole 97%
(3-methyl-5-isoxazolyl)methanol
CAS Number
14716-89-3
MDL Number
MFCD09859210
PubChem SID
162042637
PubChem CID
10820493

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.363541  H Acceptors
H Donor LogD (pH = 5.5) -0.37819102 
LogD (pH = 7.4) -0.37818778  Log P -0.37818727 
Molar Refractivity 28.7849 cm3 Polarizability 10.595753 Å3
Polar Surface Area 46.26 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Harmful expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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