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35087-46-8 molecular structure
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5-methoxythiophene-2-carbaldehyde

ChemBase ID: 239383
Molecular Formular: C6H6O2S
Molecular Mass: 142.17564
Monoisotopic Mass: 142.00885043
SMILES and InChIs

SMILES:
s1c(ccc1C=O)OC
Canonical SMILES:
COc1ccc(s1)C=O
InChI:
InChI=1S/C6H6O2S/c1-8-6-3-2-5(4-7)9-6/h2-4H,1H3
InChIKey:
NVDZOPRKCPVWOS-UHFFFAOYSA-N

Cite this record

CBID:239383 http://www.chembase.cn/molecule-239383.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-methoxythiophene-2-carbaldehyde
IUPAC Traditional name
5-methoxythiophene-2-carbaldehyde
Synonyms
5-methoxythiophene-2-carbaldehyde
CAS Number
35087-46-8
MDL Number
MFCD13659398
PubChem SID
164295293
PubChem CID
15937389

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 15937389 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.6069542  LogD (pH = 7.4) 1.6069542 
Log P 1.6069542  Molar Refractivity 35.155 cm3
Polarizability 13.471613 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.528 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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