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6929-08-4 molecular structure
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undecan-3-ol

ChemBase ID: 112253
Molecular Formular: C11H24O
Molecular Mass: 172.30766
Monoisotopic Mass: 172.18271539
SMILES and InChIs

SMILES:
CCCCCCCCC(O)CC
Canonical SMILES:
CCCCCCCCC(CC)O
InChI:
InChI=1S/C11H24O/c1-3-5-6-7-8-9-10-11(12)4-2/h11-12H,3-10H2,1-2H3
InChIKey:
HCARCYFXWDRVBZ-UHFFFAOYSA-N

Cite this record

CBID:112253 http://www.chembase.cn/molecule-112253.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
undecan-3-ol
IUPAC Traditional name
undecan-3-ol
Synonyms
UNDECANOL-3
CAS Number
6929-08-4
PubChem SID
162098159
PubChem CID
98970

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05223168 external link Add to cart Please log in.
Data Source Data ID
PubChem 98970 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 18.251219  H Acceptors
H Donor LogD (pH = 5.5) 3.9672627 
LogD (pH = 7.4) 3.9672627  Log P 3.9672627 
Molar Refractivity 54.0827 cm3 Polarizability 21.629404 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
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

MP Biomedicals MP Biomedicals
MP Biomedicals - 05223168 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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