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1177283-64-5 molecular structure
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2-methoxy-1-(1-methyl-1H-pyrazol-5-yl)ethan-1-one

ChemBase ID: 307931
Molecular Formular: C7H10N2O2
Molecular Mass: 154.1665
Monoisotopic Mass: 154.07422757
SMILES and InChIs

SMILES:
c1(n(ncc1)C)C(=O)COC
Canonical SMILES:
COCC(=O)c1ccnn1C
InChI:
InChI=1S/C7H10N2O2/c1-9-6(3-4-8-9)7(10)5-11-2/h3-4H,5H2,1-2H3
InChIKey:
MESUCFVONCVLJF-UHFFFAOYSA-N

Cite this record

CBID:307931 http://www.chembase.cn/molecule-307931.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methoxy-1-(1-methyl-1H-pyrazol-5-yl)ethan-1-one
IUPAC Traditional name
2-methoxy-1-(2-methylpyrazol-3-yl)ethanone
Synonyms
2-methoxy-1-(1-methyl-1H-pyrazol-5-yl)ethanone
CAS Number
1177283-64-5
MDL Number
MFCD09864442

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) -0.2953778  LogD (pH = 7.4) -0.29536715 
Log P -0.29536703  Molar Refractivity 51.6951 cm3
Polarizability 15.217271 Å3 Polar Surface Area 44.12 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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