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103987-28-6 molecular structure
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2,3-dimethyl-1H-indole-7-carbaldehyde

ChemBase ID: 306613
Molecular Formular: C11H11NO
Molecular Mass: 173.21114
Monoisotopic Mass: 173.08406398
SMILES and InChIs

SMILES:
[nH]1c2c(c(c1C)C)cccc2C=O
Canonical SMILES:
O=Cc1cccc2c1[nH]c(c2C)C
InChI:
InChI=1S/C11H11NO/c1-7-8(2)12-11-9(6-13)4-3-5-10(7)11/h3-6,12H,1-2H3
InChIKey:
MGWPJWMJIUZCAW-UHFFFAOYSA-N

Cite this record

CBID:306613 http://www.chembase.cn/molecule-306613.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,3-dimethyl-1H-indole-7-carbaldehyde
IUPAC Traditional name
2,3-dimethyl-1H-indole-7-carbaldehyde
Synonyms
2,3-dimethyl-1H-indole-7-carbaldehyde
CAS Number
103987-28-6
MDL Number
MFCD08059725

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) 2.4974928  LogD (pH = 7.4) 2.4974928 
Log P 2.4974928  Molar Refractivity 53.9194 cm3
Polarizability 21.00003 Å3 Polar Surface Area 32.86 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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