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178671-58-4 | 2-Propenoic acid, 2-cyano-3,3-diphenyl-, 1,1'-[2,2-bis[[(2-cyano-1-oxo-3,3-diphenyl-2-propen-1-yl)oxy]methyl]-1,3-propanediyl] ester
CAS No: 178671-58-4 Catalog No: AG00268H MDL No:MFCD21607536
Product Description
Catalog Number:
AG00268H
Chemical Name:
2-Propenoic acid, 2-cyano-3,3-diphenyl-, 1,1'-[2,2-bis[[(2-cyano-1-oxo-3,3-diphenyl-2-propen-1-yl)oxy]methyl]-1,3-propanediyl] ester
CAS Number:
178671-58-4
Molecular Formula:
C69H48N4O8
Molecular Weight:
1061.1414
MDL Number:
MFCD21607536
IUPAC Name:
[3-(2-cyano-3,3-diphenylprop-2-enoyl)oxy-2,2-bis[(2-cyano-3,3-diphenylprop-2-enoyl)oxymethyl]propyl] 2-cyano-3,3-diphenylprop-2-enoate
InChI:
InChI=1S/C69H48N4O8/c70-41-57(61(49-25-9-1-10-26-49)50-27-11-2-12-28-50)65(74)78-45-69(46-79-66(75)58(42-71)62(51-29-13-3-14-30-51)52-31-15-4-16-32-52,47-80-67(76)59(43-72)63(53-33-17-5-18-34-53)54-35-19-6-20-36-54)48-81-68(77)60(44-73)64(55-37-21-7-22-38-55)56-39-23-8-24-40-56/h1-40H,45-48H2
InChI Key:
CVSXFBFIOUYODT-UHFFFAOYSA-N
SMILES:
N#CC(=C(c1ccccc1)c1ccccc1)C(=O)OCC(COC(=O)C(=C(c1ccccc1)c1ccccc1)C#N)(COC(=O)C(=C(c1ccccc1)c1ccccc1)C#N)COC(=O)C(=C(c1ccccc1)c1ccccc1)C#N
EC Number:
429-160-3
UNII:
P428PY6477
Properties
Complexity:
2070
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1060.347g/mol
Formal Charge:
0
Heavy Atom Count:
81
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
1061.163g/mol
Monoisotopic Mass:
1060.347g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
200A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
15.5
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