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764-67-0 molecular structure
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2-hydroxyhexadecanoic acid

ChemBase ID: 132359
Molecular Formular: C16H32O3
Molecular Mass: 272.42348
Monoisotopic Mass: 272.23514488
SMILES and InChIs

SMILES:
CCCCCCCCCCCCCCC(C(=O)O)O
Canonical SMILES:
CCCCCCCCCCCCCCC(C(=O)O)O
InChI:
InChI=1S/C16H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15,17H,2-14H2,1H3,(H,18,19)
InChIKey:
JGHSBPIZNUXPLA-UHFFFAOYSA-N

Cite this record

CBID:132359 http://www.chembase.cn/molecule-132359.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-hydroxyhexadecanoic acid
IUPAC Traditional name
2-hydroxy palmitic acid
Synonyms
2-Hydroxypalmitic acid
DL-α-Hydroxypalmitic acid
2-Hydroxyhexadecanoic acid
CAS Number
764-67-0
EC Number
212-129-1
MDL Number
MFCD00014343
PubChem SID
162226636
24895781
PubChem CID
92836

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
H7021 external link Add to cart Please log in.
Data Source Data ID
PubChem 92836 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.2555575  H Acceptors
H Donor LogD (pH = 5.5) 4.1192636 
LogD (pH = 7.4) 2.3906205  Log P 5.3855166 
Molar Refractivity 78.5758 cm3 Polarizability 31.326 Å3
Polar Surface Area 57.53 Å2 Rotatable Bonds 14 
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥98% (capillary GC) expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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