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112230-06-5 molecular structure
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(2-propoxyphenyl)methanol

ChemBase ID: 312565
Molecular Formular: C10H14O2
Molecular Mass: 166.21696
Monoisotopic Mass: 166.09937969
SMILES and InChIs

SMILES:
c1(c(OCCC)cccc1)CO
Canonical SMILES:
CCCOc1ccccc1CO
InChI:
InChI=1S/C10H14O2/c1-2-7-12-10-6-4-3-5-9(10)8-11/h3-6,11H,2,7-8H2,1H3
InChIKey:
XUNHRWOLRPWIIC-UHFFFAOYSA-N

Cite this record

CBID:312565 http://www.chembase.cn/molecule-312565.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-propoxyphenyl)methanol
IUPAC Traditional name
(2-propoxyphenyl)methanol
Synonyms
(2-propoxyphenyl)methanol
CAS Number
112230-06-5
MDL Number
MFCD08753023

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 18.98341 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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