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70393-63-4 molecular structure
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7-hydroxytetradecanoic acid

ChemBase ID: 170946
Molecular Formular: C14H28O3
Molecular Mass: 244.37032
Monoisotopic Mass: 244.20384476
SMILES and InChIs

SMILES:
C(CCCCCC(CCCCCC(=O)O)O)C
Canonical SMILES:
CCCCCCCC(CCCCCC(=O)O)O
InChI:
InChI=1S/C14H28O3/c1-2-3-4-5-7-10-13(15)11-8-6-9-12-14(16)17/h13,15H,2-12H2,1H3,(H,16,17)
InChIKey:
LXFWNUZFODRHJO-UHFFFAOYSA-N

Cite this record

CBID:170946 http://www.chembase.cn/molecule-170946.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-hydroxytetradecanoic acid
IUPAC Traditional name
7-hydroxytetradecanoic acid
Synonyms
7-Hydroxytetradecanoic Acid
7-Hydroxy Myristic Acid
CAS Number
70393-63-4
PubChem SID
164226856
PubChem CID
14454560

DATA SOURCES

DATA SOURCES

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Data Source Data ID
TRC H948490 external link Add to cart
PubChem 14454560 external link
Data Source Data ID Price
TRC
H948490 external link Add to cart Please log in.
Data Source Data ID
PubChem 14454560 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.7077127  H Acceptors
H Donor LogD (pH = 5.5) 3.1242785 
LogD (pH = 7.4) 1.3465476  Log P 3.980727 
Molar Refractivity 69.5511 cm3 Polarizability 27.644499 Å3
Polar Surface Area 57.53 Å2 Rotatable Bonds 12 
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - H948490 external link
A hydroxylated fatty acid found in Mucor species.

REFERENCES

REFERENCES

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  • • Lu, T., et al.: J. Biol. Chem., 269, 5346 (1994)
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PATENTS

PATENTS

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INTERNET

INTERNET

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