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204186-56-1 molecular structure
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prop-2-en-1-yl non-2-enoate

ChemBase ID: 106853
Molecular Formular: C12H20O2
Molecular Mass: 196.286
Monoisotopic Mass: 196.14632988
SMILES and InChIs

SMILES:
CCCCCC/C=C/C(=O)OCC=C
Canonical SMILES:
CCCCCC/C=C/C(=O)OCC=C
InChI:
InChI=1S/C12H20O2/c1-3-5-6-7-8-9-10-12(13)14-11-4-2/h4,9-10H,2-3,5-8,11H2,1H3
InChIKey:
RZXMCBFZDGBTPE-UHFFFAOYSA-N

Cite this record

CBID:106853 http://www.chembase.cn/molecule-106853.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
prop-2-en-1-yl non-2-enoate
IUPAC Traditional name
prop-2-en-1-yl non-2-enoate
Synonyms
ALLYL-2-NONENOATE
CAS Number
204186-56-1
PubChem SID
162089052
PubChem CID
44607764

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05201646 external link Add to cart Please log in.
Data Source Data ID
PubChem 44607764 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.252903  LogD (pH = 7.4) 4.252903 
Log P 4.252903  Molar Refractivity 59.9017 cm3
Polarizability 23.118528 Å3 Polar Surface Area 26.3 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 - 05201646 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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