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936-51-6 molecular structure
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2-phenyl-1,3-dioxolane

ChemBase ID: 138467
Molecular Formular: C9H10O2
Molecular Mass: 150.1745
Monoisotopic Mass: 150.06807956
SMILES and InChIs

SMILES:
c1ccc(cc1)C1OCCO1
Canonical SMILES:
C1COC(O1)c1ccccc1
InChI:
InChI=1S/C9H10O2/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-5,9H,6-7H2
InChIKey:
LYINTWKRUWVLBA-UHFFFAOYSA-N

Cite this record

CBID:138467 http://www.chembase.cn/molecule-138467.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-phenyl-1,3-dioxolane
IUPAC Traditional name
2-phenyl-1,3-dioxolane
Synonyms
2-Phenyl-1,3-dioxolane
2-苯基-1,3-二氧戊环
CAS Number
936-51-6
EC Number
213-315-5
MDL Number
MFCD00030564
PubChem SID
162232723
24860762
PubChem CID
70293

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
340030 external link Add to cart Please log in.
Data Source Data ID
PubChem 70293 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.9564002  LogD (pH = 7.4) 1.9564002 
Log P 1.9564002  Molar Refractivity 41.4372 cm3
Polarizability 16.496124 Å3 Polar Surface Area 18.46 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
80 °C/0.3 mmHg(lit.) expand Show data source
Flash Point
208.4 °F expand Show data source
98 °C expand Show data source
Density
1.106 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.526(lit.) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves expand Show data source
Purity
99% expand Show data source
Empirical Formula (Hill Notation)
C9H10O2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 340030 external link
Packaging
25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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