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27992-31-0 molecular structure
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5,6-dimethyl-1,2-dihydropyridin-2-one

ChemBase ID: 308912
Molecular Formular: C7H9NO
Molecular Mass: 123.15246
Monoisotopic Mass: 123.06841391
SMILES and InChIs

SMILES:
[nH]1c(c(ccc1=O)C)C
Canonical SMILES:
Cc1c(C)ccc(=O)[nH]1
InChI:
InChI=1S/C7H9NO/c1-5-3-4-7(9)8-6(5)2/h3-4H,1-2H3,(H,8,9)
InChIKey:
MIMWDGDLJCJLQS-UHFFFAOYSA-N

Cite this record

CBID:308912 http://www.chembase.cn/molecule-308912.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5,6-dimethyl-1,2-dihydropyridin-2-one
IUPAC Traditional name
5,6-dimethyl-1H-pyridin-2-one
Synonyms
5,6-dimethyl-2(1H)-pyridinone
CAS Number
27992-31-0
MDL Number
MFCD00859248

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) 0.46229568  LogD (pH = 7.4) 0.46228066 
Log P 0.4622959  Molar Refractivity 38.1464 cm3
Polarizability 13.618188 Å3 Polar Surface Area 29.1 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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