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3769-41-3 molecular structure
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3-(benzyloxy)phenol

ChemBase ID: 308880
Molecular Formular: C13H12O2
Molecular Mass: 200.23318
Monoisotopic Mass: 200.08372962
SMILES and InChIs

SMILES:
c1c(OCc2ccccc2)cccc1O
Canonical SMILES:
Oc1cccc(c1)OCc1ccccc1
InChI:
InChI=1S/C13H12O2/c14-12-7-4-8-13(9-12)15-10-11-5-2-1-3-6-11/h1-9,14H,10H2
InChIKey:
FOTVZLOJAIEAOY-UHFFFAOYSA-N

Cite this record

CBID:308880 http://www.chembase.cn/molecule-308880.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(benzyloxy)phenol
IUPAC Traditional name
3-(benzyloxy)phenol
Synonyms
3-(benzyloxy)phenol
CAS Number
3769-41-3
MDL Number
MFCD00134682

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) 3.236437  LogD (pH = 7.4) 3.232897 
Log P 3.2364824  Molar Refractivity 59.1147 cm3
Polarizability 23.05213 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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