Home > Compound List > Compound details
7539-12-0 molecular structure
click picture or here to close

3-(prop-2-en-1-yl)oxolane-2,5-dione

ChemBase ID: 88293
Molecular Formular: C7H8O3
Molecular Mass: 140.13662
Monoisotopic Mass: 140.04734412
SMILES and InChIs

SMILES:
O1C(=O)C(CC1=O)CC=C
Canonical SMILES:
C=CCC1CC(=O)OC1=O
InChI:
InChI=1S/C7H8O3/c1-2-3-5-4-6(8)10-7(5)9/h2,5H,1,3-4H2
InChIKey:
WUMMIJWEUDHZCL-UHFFFAOYSA-N

Cite this record

CBID:88293 http://www.chembase.cn/molecule-88293.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(prop-2-en-1-yl)oxolane-2,5-dione
IUPAC Traditional name
succinic anhydride, allyl-
Synonyms
3-(Prop-2-en-1-yl)dihydrofuran-2,5-dione
3-Allyldihydrofuran-2,5-dione
Allylsuccinic anhydride
CAS Number
7539-12-0
PubChem SID
162075270
PubChem CID
111009

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR40289 external link Add to cart Please log in.
Data Source Data ID
PubChem 111009 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.86382467  LogD (pH = 7.4) 0.86382467 
Log P 0.86382467  Molar Refractivity 34.1522 cm3
Polarizability 13.5419235 Å3 Polar Surface Area 43.37 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Flash Point
145°C expand Show data source
Storage Warning
Corrosive/Moisture Sensitive/Store under Argon expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle