Home > Compound List > Compound details
41034-83-7 molecular structure
click picture or here to close

ethyl 3-(anthracen-9-yl)propanoate

ChemBase ID: 160726
Molecular Formular: C19H18O2
Molecular Mass: 278.34502
Monoisotopic Mass: 278.13067982
SMILES and InChIs

SMILES:
c1ccc2c(c1)c(c1c(c2)cccc1)CCC(=O)OCC
Canonical SMILES:
CCOC(=O)CCc1c2ccccc2cc2c1cccc2
InChI:
InChI=1S/C19H18O2/c1-2-21-19(20)12-11-18-16-9-5-3-7-14(16)13-15-8-4-6-10-17(15)18/h3-10,13H,2,11-12H2,1H3
InChIKey:
VZVCKDRAXQXTTN-UHFFFAOYSA-N

Cite this record

CBID:160726 http://www.chembase.cn/molecule-160726.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 3-(anthracen-9-yl)propanoate
IUPAC Traditional name
ethyl 3-(anthracen-9-yl)propanoate
Synonyms
3-(9-Anthracenyl)propionic Acid
3-(9-Anthryl)propionic Acid
3-(Anthracen-9-yl)propanoic Acid
β-Anthrylpropionic Acid
9-Anthracenepropanoic Acid
CAS Number
41034-83-7
PubChem SID
162254861
PubChem CID
15508993

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC A678435 external link Add to cart
PubChem 15508993 external link
Data Source Data ID Price
TRC
A678435 external link Add to cart Please log in.
Data Source Data ID
PubChem 15508993 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.537218  LogD (pH = 7.4) 4.537218 
Log P 4.537218  Molar Refractivity 84.3847 cm3
Polarizability 35.478252 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Yellow Solid expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - A678435 external link
A 9-substituted derivative of the polycyclic aromatic hydrocarbon (PAH) Anthracene (A678400).

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