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37830-90-3 molecular structure
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dimethyl-2H-1,3-dioxol-2-one

ChemBase ID: 70206
Molecular Formular: C5H6O3
Molecular Mass: 114.09934
Monoisotopic Mass: 114.03169405
SMILES and InChIs

SMILES:
o1c(=O)oc(c1C)C
Canonical SMILES:
Cc1oc(=O)oc1C
InChI:
InChI=1S/C5H6O3/c1-3-4(2)8-5(6)7-3/h1-2H3
InChIKey:
QYIOFABFKUOIBV-UHFFFAOYSA-N

Cite this record

CBID:70206 http://www.chembase.cn/molecule-70206.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dimethyl-2H-1,3-dioxol-2-one
IUPAC Traditional name
dimethyl-1,3-dioxol-2-one
Synonyms
4,5-Dimethyl-1,3-dioxol-2-one
CAS Number
37830-90-3
MDL Number
MFCD00135139
PubChem SID
162035929
PubChem CID
142210

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 142210 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.1327248  LogD (pH = 7.4) 1.1327248 
Log P 1.1327248  Molar Refractivity 28.0832 cm3
Polarizability 10.503513 Å3 Polar Surface Area 35.53 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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