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1210700-52-9 molecular structure
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[5-(propan-2-yl)-1,3-oxazol-4-yl]methanol

ChemBase ID: 308949
Molecular Formular: C7H11NO2
Molecular Mass: 141.16774
Monoisotopic Mass: 141.0789786
SMILES and InChIs

SMILES:
c1(c(ocn1)C(C)C)CO
Canonical SMILES:
OCc1ncoc1C(C)C
InChI:
InChI=1S/C7H11NO2/c1-5(2)7-6(3-9)8-4-10-7/h4-5,9H,3H2,1-2H3
InChIKey:
WKKPLMDFAIAYRT-UHFFFAOYSA-N

Cite this record

CBID:308949 http://www.chembase.cn/molecule-308949.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[5-(propan-2-yl)-1,3-oxazol-4-yl]methanol
IUPAC Traditional name
(5-isopropyl-1,3-oxazol-4-yl)methanol
Synonyms
(5-isopropyl-1,3-oxazol-4-yl)methanol
CAS Number
1210700-52-9
MDL Number
MFCD13188579

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.31631336  LogD (pH = 7.4) 0.31631562 
Log P 0.31631586  Molar Refractivity 37.2064 cm3
Polarizability 14.242962 Å3 Polar Surface Area 46.26 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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