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53223-82-8 molecular structure
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phenanthren-9-ylmethyl 2-methylprop-2-enoate

ChemBase ID: 176459
Molecular Formular: C19H16O2
Molecular Mass: 276.32914
Monoisotopic Mass: 276.11502975
SMILES and InChIs

SMILES:
c1ccc2c(c1)c1c(c(c2)COC(=O)C(=C)C)cccc1
Canonical SMILES:
O=C(C(=C)C)OCc1cc2ccccc2c2c1cccc2
InChI:
InChI=1S/C19H16O2/c1-13(2)19(20)21-12-15-11-14-7-3-4-8-16(14)18-10-6-5-9-17(15)18/h3-11H,1,12H2,2H3
InChIKey:
SKCCBBCEVTUWBS-UHFFFAOYSA-N

Cite this record

CBID:176459 http://www.chembase.cn/molecule-176459.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
phenanthren-9-ylmethyl 2-methylprop-2-enoate
IUPAC Traditional name
phenanthren-9-ylmethyl 2-methylprop-2-enoate
Synonyms
2-Methyl-2-propenoic Acid 9-Phenanthrenyl Methyl Ester
9-Methacryloxymethylphenanthrene
PheMMA
(9-Phenanthryl)methyl Methacrylate
CAS Number
53223-82-8
PubChem SID
164232369
PubChem CID
682114

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC P312500 external link Add to cart
PubChem 682114 external link
Data Source Data ID Price
TRC
P312500 external link Add to cart Please log in.
Data Source Data ID
PubChem 682114 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.011152  LogD (pH = 7.4) 5.011152 
Log P 5.011152  Molar Refractivity 83.9306 cm3
Polarizability 35.251217 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Ethyl Acetate expand Show data source
Methanol expand Show data source
Apperance
White to Off-White Solid expand Show data source
Melting Point
75-76°C expand Show data source
Storage Condition
-20°C Freezer expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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  • • Zhao, et al.: Macromolecules, 23, 18, 4083 (1990)
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PATENTS

PATENTS

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INTERNET

INTERNET

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