Home > Compound List > Compound details
13702-35-7 molecular structure
click picture or here to close

2,3-diphenylprop-2-enal

ChemBase ID: 112333
Molecular Formular: C15H12O
Molecular Mass: 208.25518
Monoisotopic Mass: 208.088815
SMILES and InChIs

SMILES:
O=C/C(=C/c1ccccc1)/c1ccccc1
Canonical SMILES:
O=C/C(=C/c1ccccc1)/c1ccccc1
InChI:
InChI=1S/C15H12O/c16-12-15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-12H
InChIKey:
JYVONCAJVKBEGI-UHFFFAOYSA-N

Cite this record

CBID:112333 http://www.chembase.cn/molecule-112333.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,3-diphenylprop-2-enal
IUPAC Traditional name
2,3-diphenylprop-2-enal
Synonyms
3,3-DIPHENYL ACROLEIN
CAS Number
13702-35-7
PubChem SID
162098176
PubChem CID
5383391

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05223529 external link Add to cart Please log in.
Data Source Data ID
PubChem 5383391 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.6455579  LogD (pH = 7.4) 3.6455579 
Log P 3.6455579  Molar Refractivity 66.5866 cm3
Polarizability 25.49347 Å3 Polar Surface Area 17.07 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05223529 external link
MP Biomedicals Rare Chemical collection

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