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34957-73-8 molecular structure
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methyl 9-hydroxynonanoate

ChemBase ID: 172825
Molecular Formular: C10H20O3
Molecular Mass: 188.264
Monoisotopic Mass: 188.1412445
SMILES and InChIs

SMILES:
C(=O)(CCCCCCCCO)OC
Canonical SMILES:
OCCCCCCCCC(=O)OC
InChI:
InChI=1S/C10H20O3/c1-13-10(12)8-6-4-2-3-5-7-9-11/h11H,2-9H2,1H3
InChIKey:
RIZOOQYPYGPBOC-UHFFFAOYSA-N

Cite this record

CBID:172825 http://www.chembase.cn/molecule-172825.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 9-hydroxynonanoate
IUPAC Traditional name
methyl 9-hydroxynonanoate
Synonyms
9-Hydroxynonanoic Acid Methyl Ester
Methyl 9-Hydroxynonanoate
NSC 159261
9-Hydroxypelargonic Acid Methyl Ester
8-Methoxycarbonyloctanol
CAS Number
34957-73-8
PubChem SID
164228735
PubChem CID
292983

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC M261500 external link Add to cart
PubChem 292983 external link
Data Source Data ID Price
TRC
M261500 external link Add to cart Please log in.
Data Source Data ID
PubChem 292983 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.843943  H Acceptors
H Donor LogD (pH = 5.5) 1.8538176 
LogD (pH = 7.4) 1.8538176  Log P 1.8538176 
Molar Refractivity 51.5744 cm3 Polarizability 20.541235 Å3
Polar Surface Area 46.53 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Ethyl Acetate expand Show data source
Apperance
Pale Yellow Liquid expand Show data source
Storage Condition
Refrigerator expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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