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1054624-90-6 molecular structure
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2-[2-(2H3)methoxyphenoxymethyl]oxirane

ChemBase ID: 173105
Molecular Formular: C10H12O3
Molecular Mass: 180.20048
Monoisotopic Mass: 180.07864424
SMILES and InChIs

SMILES:
c1cccc(c1OCC1CO1)OC
Canonical SMILES:
COc1ccccc1OCC1CO1
InChI:
InChI=1S/C10H12O3/c1-11-9-4-2-3-5-10(9)13-7-8-6-12-8/h2-5,8H,6-7H2,1H3
InChIKey:
RJNVSQLNEALZLC-UHFFFAOYSA-N

Cite this record

CBID:173105 http://www.chembase.cn/molecule-173105.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[2-(2H3)methoxyphenoxymethyl]oxirane
IUPAC Traditional name
2-[2-(2H3)methoxyphenoxymethyl]oxirane
Synonyms
1,2-Epoxy-3-(2-methoxy-d3-phenoxy)propane
2-(2,3-Epoxypropoxy)anisole-d3
2-Methoxy-d3-1-(oxiranylmethoxy)benzene
2-Methoxyphenyl-d3 Glycidyl Ether
Glycidyl 2-Methoxyphenyl-d3 Ether
NSC 112256-d3
NSC 133442-d3
2-[(2-Methoxyphenoxy)methyl]oxirane-d3
CAS Number
1054624-90-6
PubChem SID
164229015
PubChem CID
46782165

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC M265702 external link Add to cart
PubChem 46782165 external link
Data Source Data ID Price
TRC
M265702 external link Add to cart Please log in.
Data Source Data ID
PubChem 46782165 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.49917  LogD (pH = 7.4) 1.49917 
Log P 1.49917  Molar Refractivity 47.7291 cm3
Polarizability 19.018795 Å3 Polar Surface Area 30.99 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Dichloromethane expand Show data source
Apperance
White Low Melting Solid expand Show data source
Storage Condition
Refrigerator expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - M265702 external link
Ranolazine intermediate.

REFERENCES

REFERENCES

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  • • Rogers, G., et al.: J. Med. Chem., 32, 1217 (1989).
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PATENTS

PATENTS

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INTERNET

INTERNET

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