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7556-88-9 molecular structure
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quinazolin-5-ol

ChemBase ID: 816235
Molecular Formular: C8H6N2O
Molecular Mass: 146.14604
Monoisotopic Mass: 146.04801282
SMILES and InChIs

SMILES:
c1ccc2ncncc2c1O
Canonical SMILES:
Oc1cccc2c1cncn2
InChI:
InChI=1S/C8H6N2O/c11-8-3-1-2-7-6(8)4-9-5-10-7/h1-5,11H
InChIKey:
ATQUABCIJINPMX-UHFFFAOYSA-N

Cite this record

CBID:816235 http://www.chembase.cn/molecule-816235.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
quinazolin-5-ol
IUPAC Traditional name
quinazolin-5-ol
Synonyms
QUINAZOLIN-5-OL
CAS Number
7556-88-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O40242 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O40242 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 7.5007586  H Acceptors
H Donor LogD (pH = 5.5) 1.1163057 
LogD (pH = 7.4) 0.87022215  Log P 1.1214973 
Molar Refractivity 40.7814 cm3 Polarizability 16.667967 Å3
Polar Surface Area 46.01 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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