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1605-18-1 molecular structure
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1,4-bis(prop-1-en-2-yl)benzene

ChemBase ID: 111764
Molecular Formular: C12H14
Molecular Mass: 158.23956
Monoisotopic Mass: 158.10955045
SMILES and InChIs

SMILES:
CC(=C)c1ccc(cc1)C(=C)C
Canonical SMILES:
CC(=C)c1ccc(cc1)C(=C)C
InChI:
InChI=1S/C12H14/c1-9(2)11-5-7-12(8-6-11)10(3)4/h5-8H,1,3H2,2,4H3
InChIKey:
ZENYUPUKNXGVDY-UHFFFAOYSA-N

Cite this record

CBID:111764 http://www.chembase.cn/molecule-111764.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,4-bis(prop-1-en-2-yl)benzene
IUPAC Traditional name
1,4-bis(prop-1-en-2-yl)benzene
Synonyms
p-DIISOPROPENYL BENZENE, POLYMER
CAS Number
1605-18-1
PubChem SID
162096714
PubChem CID
74148

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
MP Biomedicals
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Data Source Data ID
PubChem 74148 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.0454392  LogD (pH = 7.4) 4.0454392 
Log P 4.0454392  Molar Refractivity 53.9946 cm3
Polarizability 21.184336 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
RTECS
CY8536000 expand Show data source
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05220838 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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