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MFCD08235241 molecular structure
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2-oxo-2H-pyran-5-carbonyl chloride

ChemBase ID: 90985
Molecular Formular: C6H3ClO3
Molecular Mass: 158.53922
Monoisotopic Mass: 157.97707164
SMILES and InChIs

SMILES:
o1c(=O)ccc(c1)C(=O)Cl
Canonical SMILES:
O=c1ccc(co1)C(=O)Cl
InChI:
InChI=1S/C6H3ClO3/c7-6(9)4-1-2-5(8)10-3-4/h1-3H
InChIKey:
SFSCMSZFSVPPOM-UHFFFAOYSA-N

Cite this record

CBID:90985 http://www.chembase.cn/molecule-90985.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-oxo-2H-pyran-5-carbonyl chloride
IUPAC Traditional name
6-oxopyran-3-carbonyl chloride
Synonyms
2-Oxo-2H-pyran-5-carbonyl chloride 95%
MDL Number
MFCD08235241
PubChem SID
162077689
PubChem CID
13475225

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR6384 external link Add to cart Please log in.
Data Source Data ID
PubChem 13475225 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Log P 0.714406  Molar Refractivity 35.9532 cm3
Polarizability 13.422232 Å3 Polar Surface Area 43.37 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
LogD (pH = 5.5) 0.714406  LogD (pH = 7.4) 0.714406 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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