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50901-43-4 molecular structure
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pyridazin-4-ylmethanol

ChemBase ID: 63208
Molecular Formular: C5H6N2O
Molecular Mass: 110.11394
Monoisotopic Mass: 110.04801282
SMILES and InChIs

SMILES:
c1c(cnnc1)CO
Canonical SMILES:
OCc1ccnnc1
InChI:
InChI=1S/C5H6N2O/c8-4-5-1-2-6-7-3-5/h1-3,8H,4H2
InChIKey:
GXWAGVFGTPTYAO-UHFFFAOYSA-N

Cite this record

CBID:63208 http://www.chembase.cn/molecule-63208.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
pyridazin-4-ylmethanol
IUPAC Traditional name
pyridazin-4-ylmethanol
Synonyms
4-Pyridazinemethanol
CAS Number
50901-43-4
MDL Number
MFCD06227446
PubChem SID
162028947
PubChem CID
13316256

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
068522 external link Add to cart Please log in.
Data Source Data ID
PubChem 13316256 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.424633  H Acceptors
H Donor LogD (pH = 5.5) -0.99176264 
LogD (pH = 7.4) -0.9915491  Log P -0.99154633 
Molar Refractivity 30.5803 cm3 Polarizability 11.015653 Å3
Polar Surface Area 46.01 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false 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

INTERNET

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