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623565-62-8 molecular structure
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5H,6H,7H-pyrazolo[3,2-b][1,3]oxazin-2-ylmethanol

ChemBase ID: 117020
Molecular Formular: C7H10N2O2
Molecular Mass: 154.1665
Monoisotopic Mass: 154.07422757
SMILES and InChIs

SMILES:
c12n(nc(c1)CO)CCCO2
Canonical SMILES:
OCc1nn2c(c1)OCCC2
InChI:
InChI=1S/C7H10N2O2/c10-5-6-4-7-9(8-6)2-1-3-11-7/h4,10H,1-3,5H2
InChIKey:
VHJUJFCWUIQFGV-UHFFFAOYSA-N

Cite this record

CBID:117020 http://www.chembase.cn/molecule-117020.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5H,6H,7H-pyrazolo[3,2-b][1,3]oxazin-2-ylmethanol
IUPAC Traditional name
5H,6H,7H-pyrazolo[3,2-b][1,3]oxazin-2-ylmethanol
Synonyms
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethanol
CAS Number
623565-62-8
MDL Number
MFCD09263989
PubChem SID
162102243
PubChem CID
11845252

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Life Chemicals
F2147-0898 external link Add to cart Please log in.
Data Source Data ID
PubChem 11845252 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.956197  H Acceptors
H Donor LogD (pH = 5.5) -0.46474913 
LogD (pH = 7.4) -0.46471798  Log P -0.46471748 
Molar Refractivity 49.868 cm3 Polarizability 15.0402565 Å3
Polar Surface Area 47.28 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Partition Coefficient
-0.19 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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