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Home Carboxys Dimethyl 2-oxo-4,5-diphenylcyclopenta-3,5-diene-1,3-dicarboxylate

Dimethyl 2-oxo-4,5-diphenylcyclopenta-3,5-diene-1,3-dicarboxylate

CAS No.:
16691-79-5
Catalog Number:
AG001X0R
Molecular Formula:
C21H16O5
Molecular Weight:
348.3487
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$278
- +
5g
1 week
United States
$805
- +
Product Description
Catalog Number:
AG001X0R
Chemical Name:
Dimethyl 2-oxo-4,5-diphenylcyclopenta-3,5-diene-1,3-dicarboxylate
CAS Number:
16691-79-5
Molecular Formula:
C21H16O5
Molecular Weight:
348.3487
MDL Number:
MFCD00111095
IUPAC Name:
dimethyl 2-oxo-4,5-diphenylcyclopenta-3,5-diene-1,3-dicarboxylate
InChI:
InChI=1S/C21H16O5/c1-25-20(23)17-15(13-9-5-3-6-10-13)16(14-11-7-4-8-12-14)18(19(17)22)21(24)26-2/h3-12H,1-2H3
InChI Key:
NTXFYWYVVGMAGT-UHFFFAOYSA-N
SMILES:
COC(=O)C1=C(c2ccccc2)C(=C(C1=O)C(=O)OC)c1ccccc1
Properties
Complexity:
602  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.1g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.354g/mol
Monoisotopic Mass:
348.1g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Literature
Title Journal
Crystallographic evidence for cyclopropane ring formation in isotwistenes obtained by thermal cascade reactions of cyclopentadienone with acyclic conjugated dienes. Chemical & pharmaceutical bulletin 20090701
Cyclization of electron-deficient cyclopentadienone with 2-alkenyl and 2-alkynylamines via sequential pericyclic reaction pathway. The Journal of organic chemistry 20011228
Properties