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33033-33-9 molecular structure
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2,3,6,7-tetramethoxynaphthalene

ChemBase ID: 15953
Molecular Formular: C14H16O4
Molecular Mass: 248.27444
Monoisotopic Mass: 248.10485899
SMILES and InChIs

SMILES:
c1c(c(cc2cc(c(cc12)OC)OC)OC)OC
Canonical SMILES:
COc1cc2cc(OC)c(cc2cc1OC)OC
InChI:
InChI=1S/C14H16O4/c1-15-11-5-9-7-13(17-3)14(18-4)8-10(9)6-12(11)16-2/h5-8H,1-4H3
InChIKey:
SHRMNWAPYJYUHG-UHFFFAOYSA-N

Cite this record

CBID:15953 http://www.chembase.cn/molecule-15953.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,3,6,7-tetramethoxynaphthalene
IUPAC Traditional name
2,3,6,7-tetramethoxynaphthalene
Synonyms
2,3,6,7-Tetamethoxynaphthalene
CAS Number
33033-33-9
MDL Number
MFCD06656521
PubChem SID
160979260
PubChem CID
23334491

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
016573 external link Add to cart Please log in.
Data Source Data ID
PubChem 23334491 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.3320374  LogD (pH = 7.4) 2.3320374 
Log P 2.3320374  Molar Refractivity 68.361 cm3
Polarizability 27.899094 Å3 Polar Surface Area 36.92 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
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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