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3558-60-9 molecular structure
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(2-methoxyethyl)benzene

ChemBase ID: 251313
Molecular Formular: C9H12O
Molecular Mass: 136.19098
Monoisotopic Mass: 136.088815
SMILES and InChIs

SMILES:
c1(CCOC)ccccc1
Canonical SMILES:
COCCc1ccccc1
InChI:
InChI=1S/C9H12O/c1-10-8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKey:
CQLYXIUHVFRXLT-UHFFFAOYSA-N

Cite this record

CBID:251313 http://www.chembase.cn/molecule-251313.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-methoxyethyl)benzene
IUPAC Traditional name
benzene, (2-methoxyethyl)-
Synonyms
(2-methoxyethyl)benzene
CAS Number
3558-60-9
MDL Number
MFCD00025912
PubChem SID
164307223
PubChem CID
19089

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 19089 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.1376839  LogD (pH = 7.4) 2.1376839 
Log P 2.1376839  Molar Refractivity 42.3801 cm3
Polarizability 16.486042 Å3 Polar Surface Area 9.23 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.909 expand Show data source
Purity
95% expand Show data source
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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