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6343-73-3 molecular structure
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naphthalen-2-yl dodecanoate

ChemBase ID: 109519
Molecular Formular: C22H30O2
Molecular Mass: 326.4724
Monoisotopic Mass: 326.2245802
SMILES and InChIs

SMILES:
CCCCCCCCCCCC(=O)Oc1ccc2ccccc2c1
Canonical SMILES:
CCCCCCCCCCCC(=O)Oc1ccc2c(c1)cccc2
InChI:
InChI=1S/C22H30O2/c1-2-3-4-5-6-7-8-9-10-15-22(23)24-21-17-16-19-13-11-12-14-20(19)18-21/h11-14,16-18H,2-10,15H2,1H3
InChIKey:
CIGGUBXZFFSTTA-UHFFFAOYSA-N

Cite this record

CBID:109519 http://www.chembase.cn/molecule-109519.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
naphthalen-2-yl dodecanoate
IUPAC Traditional name
naphthalen-2-yl dodecanoate
Synonyms
β-NAPHTHYL LAURATE
CAS Number
6343-73-3
PubChem SID
162095171
PubChem CID
80656

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05211411 external link Add to cart Please log in.
Data Source Data ID
PubChem 80656 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 7.2716374  LogD (pH = 7.4) 7.2716374 
Log P 7.2716374  Molar Refractivity 99.6765 cm3
Polarizability 40.770275 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds 12  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

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

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05211411 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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