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14894-74-7 molecular structure
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1,2,4-trimethoxy-5-methylbenzene

ChemBase ID: 812274
Molecular Formular: C10H14O3
Molecular Mass: 182.21636
Monoisotopic Mass: 182.09429431
SMILES and InChIs

SMILES:
Cc1c(cc(c(c1)OC)OC)OC
Canonical SMILES:
COc1cc(OC)c(cc1OC)C
InChI:
InChI=1S/C10H14O3/c1-7-5-9(12-3)10(13-4)6-8(7)11-2/h5-6H,1-4H3
InChIKey:
UUJBBNSZJILFNT-UHFFFAOYSA-N

Cite this record

CBID:812274 http://www.chembase.cn/molecule-812274.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,2,4-trimethoxy-5-methylbenzene
IUPAC Traditional name
1,2,4-trimethoxy-5-methylbenzene
Synonyms
2,4,5-TRIMETHOXY TOLUENE
CAS Number
14894-74-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O32155 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O32155 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.0136535  LogD (pH = 7.4) 2.0136535 
Log P 2.0136535  Molar Refractivity 50.4888 cm3
Polarizability 19.648932 Å3 Polar Surface Area 27.69 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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