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10500-34-2 molecular structure
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3-(hex-2-en-1-yl)oxolane-2,5-dione

ChemBase ID: 110713
Molecular Formular: C10H14O3
Molecular Mass: 182.21636
Monoisotopic Mass: 182.09429431
SMILES and InChIs

SMILES:
CCC/C=C/CC1CC(=O)OC1=O
Canonical SMILES:
CCC/C=C/CC1CC(=O)OC1=O
InChI:
InChI=1S/C10H14O3/c1-2-3-4-5-6-8-7-9(11)13-10(8)12/h4-5,8H,2-3,6-7H2,1H3
InChIKey:
VWXVGDSPDMSWFP-UHFFFAOYSA-N

Cite this record

CBID:110713 http://www.chembase.cn/molecule-110713.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(hex-2-en-1-yl)oxolane-2,5-dione
IUPAC Traditional name
3-(hex-2-en-1-yl)oxolane-2,5-dione
Synonyms
2-Hexenylsuccinic anhydride
n-HEXENYL SUCCINIC ANHYDRIDE
2-己烯基丁二酸酐
CAS Number
10500-34-2
39587-79-6
MDL Number
MFCD00061535
PubChem SID
162096955
PubChem CID
6437721

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 6437721 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.139597  LogD (pH = 7.4) 2.139597 
Log P 2.139597  Molar Refractivity 49.0277 cm3
Polarizability 19.032686 Å3 Polar Surface Area 43.37 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Refractive Index
1.4700 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
36/37/38 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-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
97% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05216018 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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