Home > Compound List > Compound details
34541-73-6 molecular structure
click picture or here to close

methyl 4-[(E)-2-[4-(methoxycarbonyl)phenyl]ethenyl]benzoate

ChemBase ID: 302264
Molecular Formular: C18H16O4
Molecular Mass: 296.31724
Monoisotopic Mass: 296.10485899
SMILES and InChIs

SMILES:
COC(=O)c1ccc(cc1)/C=C/c1ccc(cc1)C(=O)OC
Canonical SMILES:
COC(=O)c1ccc(cc1)/C=C/c1ccc(cc1)C(=O)OC
InChI:
InChI=1S/C18H16O4/c1-21-17(19)15-9-5-13(6-10-15)3-4-14-7-11-16(12-8-14)18(20)22-2/h3-12H,1-2H3/b4-3+
InChIKey:
JOODVYOWCWQPMV-ONEGZZNKSA-N

Cite this record

CBID:302264 http://www.chembase.cn/molecule-302264.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 4-[(E)-2-[4-(methoxycarbonyl)phenyl]ethenyl]benzoate
IUPAC Traditional name
methyl 4-[(E)-2-[4-(methoxycarbonyl)phenyl]ethenyl]benzoate
Synonyms
trans-Stilbene-4,4'-dicarboxylic acid dimethyl ester
Dimethyl trans-stilbene-4,4'-dicarboxylate
反-二苯代乙烯-4,4-二甲酸二甲酯
CAS Number
34541-73-6
MDL Number
MFCD00039527
Beilstein Number
2471189

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Alfa Aesar L11969 external link Add to cart
Data Source Data ID Price
Alfa Aesar
L11969 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.3200407  LogD (pH = 7.4) 4.3200407 
Log P 4.3200407  Molar Refractivity 85.5634 cm3
Polarizability 32.344467 Å3 Polar Surface Area 52.6 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
234-236°C expand Show data source
TSCA Listed
expand Show data source
Purity
98+% 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