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56219-06-8 molecular structure
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methyl (9Z)-tetradec-9-enoate

ChemBase ID: 133779
Molecular Formular: C15H28O2
Molecular Mass: 240.38162
Monoisotopic Mass: 240.20893014
SMILES and InChIs

SMILES:
CCCC/C=C\CCCCCCCC(=O)OC
Canonical SMILES:
CCCC/C=C\CCCCCCCC(=O)OC
InChI:
InChI=1S/C15H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h6-7H,3-5,8-14H2,1-2H3/b7-6-
InChIKey:
RWIPSJUSVXDVPB-SREVYHEPSA-N

Cite this record

CBID:133779 http://www.chembase.cn/molecule-133779.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl (9Z)-tetradec-9-enoate
IUPAC Traditional name
methyl (9Z)-tetradec-9-enoate
Synonyms
Methyl myristoleate
肉豆蔻烯酸甲酯
顺-9-十四碳烯酸甲酯
肉豆蔻脑酸甲酯
CAS Number
56219-06-8
MDL Number
MFCD00056299
Beilstein Number
2046023
PubChem SID
162228056
24896862
PubChem CID
5352674

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
M3650 external link Add to cart Please log in.
Data Source Data ID
PubChem 5352674 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.1514177  LogD (pH = 7.4) 5.1514177 
Log P 5.1514177  Molar Refractivity 73.7673 cm3
Polarizability 28.89051 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds 12  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
liquid expand Show data source
German water hazard class
3 expand Show data source
GHS Hazard statements
H413 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves expand Show data source
Storage Temperature
-20°C expand Show data source
Purity
≥98.5% (capillary GC) expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - M3650 external link
包装
Sealed ampule

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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