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38002-96-9 molecular structure
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{3-[(2-methylprop-2-en-1-yl)oxy]phenyl}methanol

ChemBase ID: 312347
Molecular Formular: C11H14O2
Molecular Mass: 178.22766
Monoisotopic Mass: 178.09937969
SMILES and InChIs

SMILES:
C(=C)(COc1cc(CO)ccc1)C
Canonical SMILES:
OCc1cccc(c1)OCC(=C)C
InChI:
InChI=1S/C11H14O2/c1-9(2)8-13-11-5-3-4-10(6-11)7-12/h3-6,12H,1,7-8H2,2H3
InChIKey:
RJOQHHOJBRMRTO-UHFFFAOYSA-N

Cite this record

CBID:312347 http://www.chembase.cn/molecule-312347.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
{3-[(2-methylprop-2-en-1-yl)oxy]phenyl}methanol
IUPAC Traditional name
{3-[(2-methylprop-2-en-1-yl)oxy]phenyl}methanol
Synonyms
{3-[(2-methyl-2-propen-1-yl)oxy]phenyl}methanol
CAS Number
38002-96-9
MDL Number
MFCD08753013

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.022836  LogD (pH = 7.4) 2.022836 
Log P 2.022836  Molar Refractivity 52.7818 cm3
Polarizability 20.588259 Å3 Polar Surface Area 29.46 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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