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107864-79-9 molecular structure
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3-hydroxy-3-(2-oxopropyl)-1-propyl-2,3-dihydro-1H-indol-2-one

ChemBase ID: 311484
Molecular Formular: C14H17NO3
Molecular Mass: 247.28968
Monoisotopic Mass: 247.12084341
SMILES and InChIs

SMILES:
C1(C(=O)N(c2c1cccc2)CCC)(CC(=O)C)O
Canonical SMILES:
CCCN1c2ccccc2C(C1=O)(O)CC(=O)C
InChI:
InChI=1S/C14H17NO3/c1-3-8-15-12-7-5-4-6-11(12)14(18,13(15)17)9-10(2)16/h4-7,18H,3,8-9H2,1-2H3
InChIKey:
OOANHZQZDVVMAI-UHFFFAOYSA-N

Cite this record

CBID:311484 http://www.chembase.cn/molecule-311484.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-hydroxy-3-(2-oxopropyl)-1-propyl-2,3-dihydro-1H-indol-2-one
IUPAC Traditional name
3-hydroxy-3-(2-oxopropyl)-1-propylindol-2-one
Synonyms
3-hydroxy-3-(2-oxopropyl)-1-propyl-1,3-dihydro-2H-indol-2-one
CAS Number
107864-79-9
MDL Number
MFCD01817193

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.2208674  LogD (pH = 7.4) 1.2208457 
Log P 1.2208676  Molar Refractivity 67.6114 cm3
Polarizability 26.219635 Å3 Polar Surface Area 57.61 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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