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147596-63-2 molecular structure
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2-cyclohexyl-3-ethoxy-3-oxopropanoic acid

ChemBase ID: 311408
Molecular Formular: C11H18O4
Molecular Mass: 214.25822
Monoisotopic Mass: 214.12050906
SMILES and InChIs

SMILES:
C(C(=O)O)(C(=O)OCC)C1CCCCC1
Canonical SMILES:
CCOC(=O)C(C1CCCCC1)C(=O)O
InChI:
InChI=1S/C11H18O4/c1-2-15-11(14)9(10(12)13)8-6-4-3-5-7-8/h8-9H,2-7H2,1H3,(H,12,13)
InChIKey:
WSIZPDOYJBUYBA-UHFFFAOYSA-N

Cite this record

CBID:311408 http://www.chembase.cn/molecule-311408.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-cyclohexyl-3-ethoxy-3-oxopropanoic acid
IUPAC Traditional name
2-cyclohexyl-3-ethoxy-3-oxopropanoic acid
Synonyms
2-cyclohexyl-3-ethoxy-3-oxopropanoic acid
CAS Number
147596-63-2
MDL Number
MFCD02215247

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) 1.1161077  LogD (pH = 7.4) -0.62760085 
Log P 2.316139  Molar Refractivity 54.2304 cm3
Polarizability 21.596575 Å3 Polar Surface Area 63.6 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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