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MFCD06800932 molecular structure
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7-methoxy-1-methyl-1H-indole-2-carbaldehyde

ChemBase ID: 15629
Molecular Formular: C11H11NO2
Molecular Mass: 189.21054
Monoisotopic Mass: 189.0789786
SMILES and InChIs

SMILES:
c1ccc2c(c1OC)n(c(c2)C=O)C
Canonical SMILES:
COc1cccc2c1n(C)c(c2)C=O
InChI:
InChI=1S/C11H11NO2/c1-12-9(7-13)6-8-4-3-5-10(14-2)11(8)12/h3-7H,1-2H3
InChIKey:
MTKITSNNLHSBSM-UHFFFAOYSA-N

Cite this record

CBID:15629 http://www.chembase.cn/molecule-15629.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-methoxy-1-methyl-1H-indole-2-carbaldehyde
IUPAC Traditional name
7-methoxy-1-methylindole-2-carbaldehyde
Synonyms
7-Methoxy-1-methyl-1H-indole-2-carbaldehyde
MDL Number
MFCD06800932
PubChem SID
160978936
PubChem CID
23004697

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 23004697 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.770516  LogD (pH = 7.4) 1.770516 
Log P 1.770516  Molar Refractivity 54.9659 cm3
Polarizability 21.72499 Å3 Polar Surface Area 31.23 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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