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157-18-6 molecular structure
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oxirene

ChemBase ID: 128777
Molecular Formular: C2H2O
Molecular Mass: 42.03668
Monoisotopic Mass: 42.01056468
SMILES and InChIs

SMILES:
C1=CO1
Canonical SMILES:
C1=CO1
InChI:
InChI=1S/C2H2O/c1-2-3-1/h1-2H
InChIKey:
BJEYNNFDAPPGST-UHFFFAOYSA-N

Cite this record

CBID:128777 http://www.chembase.cn/molecule-128777.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
oxirene
IUPAC Traditional name
oxirene
Synonyms
acetylene oxide
1,2-epoxyethene
oxacyclopropene
Oxirene
CAS Number
157-18-6
PubChem SID
162223081
PubChem CID
160438
Wikipedia Title
Oxirene

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) 0.027089318  LogD (pH = 7.4) 0.027089318 
Log P 0.027089318  Molar Refractivity 10.4211 cm3
Polarizability 4.143832 Å3 Polar Surface Area 9.23 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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