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67698-62-8 molecular structure
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(3-propoxyphenyl)methanol

ChemBase ID: 312631
Molecular Formular: C10H14O2
Molecular Mass: 166.21696
Monoisotopic Mass: 166.09937969
SMILES and InChIs

SMILES:
c1c(OCCC)cccc1CO
Canonical SMILES:
CCCOc1cccc(c1)CO
InChI:
InChI=1S/C10H14O2/c1-2-6-12-10-5-3-4-9(7-10)8-11/h3-5,7,11H,2,6,8H2,1H3
InChIKey:
ZEZXJXHYTCWXCZ-UHFFFAOYSA-N

Cite this record

CBID:312631 http://www.chembase.cn/molecule-312631.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3-propoxyphenyl)methanol
IUPAC Traditional name
(3-propoxyphenyl)methanol
Synonyms
(3-propoxyphenyl)methanol
CAS Number
67698-62-8
MDL Number
MFCD08753027

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) 1.9275551  LogD (pH = 7.4) 1.9275551 
Log P 1.9275551  Molar Refractivity 48.6097 cm3
Polarizability 18.983133 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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