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15790-94-0 molecular structure
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(2E)-undec-2-enoic acid

ChemBase ID: 302250
Molecular Formular: C11H20O2
Molecular Mass: 184.2753
Monoisotopic Mass: 184.14632988
SMILES and InChIs

SMILES:
CCCCCCCC/C=C/C(=O)O
Canonical SMILES:
CCCCCCCC/C=C/C(=O)O
InChI:
InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h9-10H,2-8H2,1H3,(H,12,13)/b10-9+
InChIKey:
IGBBVTAVILYDIO-MDZDMXLPSA-N

Cite this record

CBID:302250 http://www.chembase.cn/molecule-302250.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2E)-undec-2-enoic acid
IUPAC Traditional name
trans-2-undecenoic acid
Synonyms
trans-2-Undecenoic acid
反-2-十一烯酸
CAS Number
15790-94-0
MDL Number
MFCD00040909
Beilstein Number
1722519

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Alfa Aesar L11579 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 5.0255046  H Acceptors
H Donor LogD (pH = 5.5) 3.4318533 
LogD (pH = 7.4) 1.6846169  Log P 4.031563 
Molar Refractivity 55.1719 cm3 Polarizability 21.256922 Å3
Polar Surface Area 37.3 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
138-140°C/2mm expand Show data source
Refractive Index
1.4625 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319 expand Show data source
GHS Precautionary statements
P280-P305+P351+P338-P302+P352-P321-P362-P332+P313 expand Show data source
Purity
tech. 80% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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