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66440-60-6 molecular structure
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1,5-dimethyl-2,3-dihydro-1H-indole-2,3-dione

ChemBase ID: 307770
Molecular Formular: C10H9NO2
Molecular Mass: 175.18396
Monoisotopic Mass: 175.06332853
SMILES and InChIs

SMILES:
C1(=O)N(c2c(C1=O)cc(cc2)C)C
Canonical SMILES:
Cc1ccc2c(c1)C(=O)C(=O)N2C
InChI:
InChI=1S/C10H9NO2/c1-6-3-4-8-7(5-6)9(12)10(13)11(8)2/h3-5H,1-2H3
InChIKey:
XRSLHTIRZNFPFF-UHFFFAOYSA-N

Cite this record

CBID:307770 http://www.chembase.cn/molecule-307770.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,5-dimethyl-2,3-dihydro-1H-indole-2,3-dione
IUPAC Traditional name
1,5-dimethylindole-2,3-dione
Synonyms
1,5-dimethyl-1H-indole-2,3-dione
CAS Number
66440-60-6
MDL Number
MFCD00565657

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.329031  LogD (pH = 7.4) 1.329031 
Log P 1.329031  Molar Refractivity 48.6321 cm3
Polarizability 18.137611 Å3 Polar Surface Area 37.38 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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