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152711-55-2 molecular structure
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3-azido-2H-chromen-2-one

ChemBase ID: 125367
Molecular Formular: C9H5N3O2
Molecular Mass: 187.1549
Monoisotopic Mass: 187.03817642
SMILES and InChIs

SMILES:
O=c1c(N=[N+]=[N-])cc2ccccc2o1
Canonical SMILES:
[N-]=[N+]=Nc1cc2ccccc2oc1=O
InChI:
InChI=1S/C9H5N3O2/c10-12-11-7-5-6-3-1-2-4-8(6)14-9(7)13/h1-5H
InChIKey:
CYWSDGUZWKUALI-UHFFFAOYSA-N

Cite this record

CBID:125367 http://www.chembase.cn/molecule-125367.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-azido-2H-chromen-2-one
IUPAC Traditional name
3-azidocoumarin
Synonyms
3-Azidocoumarin
CAS Number
152711-55-2
PubChem SID
162219717
PubChem CID
53238503
Chemspider ID
24771406
Wikipedia Title
3-Azidocoumarin

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.7125349  LogD (pH = 7.4) 1.7125349 
Log P 1.8265805  Molar Refractivity 49.8085 cm3
Polarizability 17.994175 Å3 Polar Surface Area 55.73 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Bioassay(PubChem)
Apperance
Brown solid expand Show data source
Melting Point
108-112 °C expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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