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90304-34-0 | 2-Propenenitrile, 3-[2,4,5-tris(phenylmethoxy)phenyl]-
CAS No: 90304-34-0 Catalog No: AG006FWZ MDL No:
Product Description
Catalog Number:
AG006FWZ
Chemical Name:
2-Propenenitrile, 3-[2,4,5-tris(phenylmethoxy)phenyl]-
CAS Number:
90304-34-0
Molecular Formula:
C30H25NO3
Molecular Weight:
447.5244
IUPAC Name:
3-[2,4,5-tris(phenylmethoxy)phenyl]prop-2-enenitrile
InChI:
InChI=1S/C30H25NO3/c31-18-10-17-27-19-29(33-22-25-13-6-2-7-14-25)30(34-23-26-15-8-3-9-16-26)20-28(27)32-21-24-11-4-1-5-12-24/h1-17,19-20H,21-23H2
InChI Key:
MHKLUEQTIMYPTF-UHFFFAOYSA-N
SMILES:
N#CC=Cc1cc(OCc2ccccc2)c(cc1OCc1ccccc1)OCc1ccccc1
Properties
Complexity:
637
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
447.183g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
447.534g/mol
Monoisotopic Mass:
447.183g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
51.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6.5
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