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60403-96-5 molecular structure
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5-hydroxy-1,2-dimethyl-1,4-dihydropyridin-4-one

ChemBase ID: 309946
Molecular Formular: C7H9NO2
Molecular Mass: 139.15186
Monoisotopic Mass: 139.06332853
SMILES and InChIs

SMILES:
n1(cc(c(=O)cc1C)O)C
Canonical SMILES:
Cn1cc(O)c(=O)cc1C
InChI:
InChI=1S/C7H9NO2/c1-5-3-6(9)7(10)4-8(5)2/h3-4,10H,1-2H3
InChIKey:
BHUURRZNXRDROF-UHFFFAOYSA-N

Cite this record

CBID:309946 http://www.chembase.cn/molecule-309946.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-hydroxy-1,2-dimethyl-1,4-dihydropyridin-4-one
IUPAC Traditional name
5-hydroxy-1,2-dimethylpyridin-4-one
Synonyms
5-hydroxy-1,2-dimethyl-4(1H)-pyridinone
CAS Number
60403-96-5
MDL Number
MFCD20535506

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) 0.6120478  LogD (pH = 7.4) 0.6120352 
Log P 0.612048  Molar Refractivity 40.6976 cm3
Polarizability 14.256086 Å3 Polar Surface Area 40.54 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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