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95202-45-2 molecular structure
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1-benzyl-2-methyl-1H-indole-3-carbaldehyde

ChemBase ID: 310645
Molecular Formular: C17H15NO
Molecular Mass: 249.3071
Monoisotopic Mass: 249.11536411
SMILES and InChIs

SMILES:
n1(c(c(c2c1cccc2)C=O)C)Cc1ccccc1
Canonical SMILES:
O=Cc1c2ccccc2n(c1C)Cc1ccccc1
InChI:
InChI=1S/C17H15NO/c1-13-16(12-19)15-9-5-6-10-17(15)18(13)11-14-7-3-2-4-8-14/h2-10,12H,11H2,1H3
InChIKey:
LFRXDIWPLQSKBS-UHFFFAOYSA-N

Cite this record

CBID:310645 http://www.chembase.cn/molecule-310645.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-benzyl-2-methyl-1H-indole-3-carbaldehyde
IUPAC Traditional name
1-benzyl-2-methylindole-3-carbaldehyde
Synonyms
1-benzyl-2-methyl-1H-indole-3-carbaldehyde
CAS Number
95202-45-2
MDL Number
MFCD00433509

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.9322207  LogD (pH = 7.4) 3.9322207 
Log P 3.9322207  Molar Refractivity 78.3875 cm3
Polarizability 30.643717 Å3 Polar Surface Area 22.0 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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