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1123169-29-8 molecular structure
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6-ethyl-1,5-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid

ChemBase ID: 308437
Molecular Formular: C10H13NO3
Molecular Mass: 195.21512
Monoisotopic Mass: 195.08954328
SMILES and InChIs

SMILES:
c1(c(=O)n(c(c(c1)C)CC)C)C(=O)O
Canonical SMILES:
CCc1c(C)cc(c(=O)n1C)C(=O)O
InChI:
InChI=1S/C10H13NO3/c1-4-8-6(2)5-7(10(13)14)9(12)11(8)3/h5H,4H2,1-3H3,(H,13,14)
InChIKey:
TYOHYLWEDVTHHK-UHFFFAOYSA-N

Cite this record

CBID:308437 http://www.chembase.cn/molecule-308437.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-ethyl-1,5-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
IUPAC Traditional name
6-ethyl-1,5-dimethyl-2-oxopyridine-3-carboxylic acid
Synonyms
6-ethyl-1,5-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid
CAS Number
1123169-29-8
MDL Number
MFCD12030938

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) -0.45405298  LogD (pH = 7.4) -2.1866968 
Log P 0.79573745  Molar Refractivity 53.6414 cm3
Polarizability 19.693323 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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