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2549-87-3 molecular structure
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2-benzoyl-5-(prop-2-en-1-yloxy)phenol

ChemBase ID: 146456
Molecular Formular: C16H14O3
Molecular Mass: 254.28056
Monoisotopic Mass: 254.09429431
SMILES and InChIs

SMILES:
C=CCOc1ccc(c(c1)O)C(=O)c1ccccc1
Canonical SMILES:
C=CCOc1ccc(c(c1)O)C(=O)c1ccccc1
InChI:
InChI=1S/C16H14O3/c1-2-10-19-13-8-9-14(15(17)11-13)16(18)12-6-4-3-5-7-12/h2-9,11,17H,1,10H2
InChIKey:
GVZIBGFELWPEOC-UHFFFAOYSA-N

Cite this record

CBID:146456 http://www.chembase.cn/molecule-146456.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-benzoyl-5-(prop-2-en-1-yloxy)phenol
IUPAC Traditional name
2-benzoyl-5-(prop-2-en-1-yloxy)phenol
Synonyms
4-Allyloxy-2-hydroxybenzophenone
4-丙烯氧基-2-羟基二苯甲酮
CAS Number
2549-87-3
MDL Number
MFCD00191713
PubChem SID
162240652
24866037
PubChem CID
75689

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
415839 external link Add to cart Please log in.
Data Source Data ID
PubChem 75689 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.062872  H Acceptors
H Donor LogD (pH = 5.5) 4.3514347 
LogD (pH = 7.4) 4.267926  Log P 4.352612 
Molar Refractivity 74.2403 cm3 Polarizability 28.54462 Å3
Polar Surface Area 46.53 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
67-70 °C(lit.) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
99% expand Show data source
Linear Formula
H2C=CHCH2OC6H3(OH)COC6H5 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 415839 external link
Application
Copolymerizable UV absorber
Packaging
25 g in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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