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824-91-9 molecular structure
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(methoxymethoxy)benzene

ChemBase ID: 42989
Molecular Formular: C8H10O2
Molecular Mass: 138.1638
Monoisotopic Mass: 138.06807956
SMILES and InChIs

SMILES:
C(Oc1ccccc1)OC
Canonical SMILES:
COCOc1ccccc1
InChI:
InChI=1S/C8H10O2/c1-9-7-10-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKey:
DDAHODSRFCRULG-UHFFFAOYSA-N

Cite this record

CBID:42989 http://www.chembase.cn/molecule-42989.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(methoxymethoxy)benzene
IUPAC Traditional name
(methoxymethoxy)benzene
Synonyms
1-(Methoxymethoxy)benzene
CAS Number
824-91-9
MDL Number
MFCD00457267
PubChem SID
162047752
PubChem CID
10060101

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 10060101 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.8787  LogD (pH = 7.4) 1.8787 
Log P 1.8787  Molar Refractivity 38.3742 cm3
Polarizability 15.375845 Å3 Polar Surface Area 18.46 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
Oil expand Show data source
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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