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307546-48-1 molecular structure
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4-ethyl-7-(2-oxopropoxy)-2H-chromen-2-one

ChemBase ID: 311471
Molecular Formular: C14H14O4
Molecular Mass: 246.25856
Monoisotopic Mass: 246.08920893
SMILES and InChIs

SMILES:
c12oc(=O)cc(c1ccc(c2)OCC(=O)C)CC
Canonical SMILES:
CCc1cc(=O)oc2c1ccc(c2)OCC(=O)C
InChI:
InChI=1S/C14H14O4/c1-3-10-6-14(16)18-13-7-11(4-5-12(10)13)17-8-9(2)15/h4-7H,3,8H2,1-2H3
InChIKey:
APFOUMJDLIKXAW-UHFFFAOYSA-N

Cite this record

CBID:311471 http://www.chembase.cn/molecule-311471.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-ethyl-7-(2-oxopropoxy)-2H-chromen-2-one
IUPAC Traditional name
4-ethyl-7-(2-oxopropoxy)chromen-2-one
Synonyms
4-ethyl-7-(2-oxopropoxy)-2H-chromen-2-one
CAS Number
307546-48-1
MDL Number
MFCD02080208

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) 2.1772604  LogD (pH = 7.4) 2.1772604 
Log P 2.1772604  Molar Refractivity 66.5305 cm3
Polarizability 25.664017 Å3 Polar Surface Area 52.6 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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