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20056-92-2 molecular structure
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(7Z)-dodec-7-en-1-ol

ChemBase ID: 136837
Molecular Formular: C12H24O
Molecular Mass: 184.31836
Monoisotopic Mass: 184.18271539
SMILES and InChIs

SMILES:
CCCC/C=C\CCCCCCO
Canonical SMILES:
CCCC/C=C\CCCCCCO
InChI:
InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h5-6,13H,2-4,7-12H2,1H3/b6-5-
InChIKey:
WWDOVTHLTQFGOZ-WAYWQWQTSA-N

Cite this record

CBID:136837 http://www.chembase.cn/molecule-136837.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(7Z)-dodec-7-en-1-ol
IUPAC Traditional name
7-dodecen-1-ol (Z)
Synonyms
(Z)-7-DDOL
Z-7-DDOL
cis-7-Dodecen-1-ol
顺-7-十二烯-1-醇
CAS Number
20056-92-2
EC Number
243-488-2
MDL Number
MFCD00009990
PubChem SID
162231105
PubChem CID
5362794

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
248991 external link Add to cart Please log in.
Data Source Data ID
PubChem 5362794 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.843943  H Acceptors
H Donor LogD (pH = 5.5) 3.9999497 
LogD (pH = 7.4) 3.9999497  Log P 3.9999497 
Molar Refractivity 60.0595 cm3 Polarizability 23.241335 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
142 °F expand Show data source
61 °C expand Show data source
RTECS
JR5255000 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
2 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
Purity
98% expand Show data source
Empirical Formula (Hill Notation)
C12H24O expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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