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65373-53-7 molecular structure
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1,2-oxazole-4-carbaldehyde

ChemBase ID: 813065
Molecular Formular: C4H3NO2
Molecular Mass: 97.07212
Monoisotopic Mass: 97.01637834
SMILES and InChIs

SMILES:
o1ncc(c1)C=O
Canonical SMILES:
O=Cc1conc1
InChI:
InChI=1S/C4H3NO2/c6-2-4-1-5-7-3-4/h1-3H
InChIKey:
BLOZNQVFQCOHRW-UHFFFAOYSA-N

Cite this record

CBID:813065 http://www.chembase.cn/molecule-813065.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,2-oxazole-4-carbaldehyde
IUPAC Traditional name
1,2-oxazole-4-carbaldehyde
Synonyms
ISOXAZOLE-4-CARBALDEHYDE
CAS Number
65373-53-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O33893 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O33893 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.050293498  LogD (pH = 7.4) 0.05029356 
Log P 0.05029356  Molar Refractivity 24.084 cm3
Polarizability 8.3169155 Å3 Polar Surface Area 43.1 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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