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6214-46-6 molecular structure
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ethyl 2-(6-oxo-1,6-dihydropyrimidin-5-yl)acetate

ChemBase ID: 309746
Molecular Formular: C8H10N2O3
Molecular Mass: 182.1766
Monoisotopic Mass: 182.06914219
SMILES and InChIs

SMILES:
c1(c(=O)[nH]cnc1)CC(=O)OCC
Canonical SMILES:
CCOC(=O)Cc1cnc[nH]c1=O
InChI:
InChI=1S/C8H10N2O3/c1-2-13-7(11)3-6-4-9-5-10-8(6)12/h4-5H,2-3H2,1H3,(H,9,10,12)
InChIKey:
LBOPQWUXCIRYIU-UHFFFAOYSA-N

Cite this record

CBID:309746 http://www.chembase.cn/molecule-309746.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 2-(6-oxo-1,6-dihydropyrimidin-5-yl)acetate
IUPAC Traditional name
ethyl 2-(4-oxo-3H-pyrimidin-5-yl)acetate
Synonyms
ethyl (6-oxo-1,6-dihydro-5-pyrimidinyl)acetate
CAS Number
6214-46-6
MDL Number
MFCD11656636

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) -0.53531337  LogD (pH = 7.4) -0.5392489 
Log P -0.5352033  Molar Refractivity 45.0004 cm3
Polarizability 17.282248 Å3 Polar Surface Area 67.76 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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