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2444-68-0 molecular structure
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9-ethenylanthracene

ChemBase ID: 150369
Molecular Formular: C16H12
Molecular Mass: 204.26648
Monoisotopic Mass: 204.09390038
SMILES and InChIs

SMILES:
C=Cc1c2ccccc2cc2c1cccc2
Canonical SMILES:
C=Cc1c2ccccc2cc2c1cccc2
InChI:
InChI=1S/C16H12/c1-2-14-15-9-5-3-7-12(15)11-13-8-4-6-10-16(13)14/h2-11H,1H2
InChIKey:
OGOYZCQQQFAGRI-UHFFFAOYSA-N

Cite this record

CBID:150369 http://www.chembase.cn/molecule-150369.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
9-ethenylanthracene
IUPAC Traditional name
9-ethenylanthracene
Synonyms
9-Vinylanthracene
9-vinylanthracene
9-乙烯基蒽
CAS Number
2444-68-0
EC Number
219-486-2
MDL Number
MFCD00003576
Beilstein Number
2041641
PubChem SID
24900719
162244530
PubChem CID
17125

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.6889014  LogD (pH = 7.4) 4.6889014 
Log P 4.6889014  Molar Refractivity 68.6447 cm3
Polarizability 29.317074 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
62-65 °C(lit.) expand Show data source
62-65°C expand Show data source
64-66 °C expand Show data source
Boiling Point
61-66 °C/10 mmHg(lit.) expand Show data source
61-66°C/10mm expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
TSCA Listed
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥95.0% (GC) expand Show data source
97% expand Show data source
98% expand Show data source
Grade
technical expand Show data source
Empirical Formula (Hill Notation)
C16H12 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - V1708 external link
Packaging
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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