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90304-33-9

90304-33-9 | 2-Propenoic acid, 2-cyano-3-[2,4,5-tris(phenylmethoxy)phenyl]-

CAS No: 90304-33-9 Catalog No: AG006FX0 MDL No:

Product Description

Catalog Number:
AG006FX0
Chemical Name:
2-Propenoic acid, 2-cyano-3-[2,4,5-tris(phenylmethoxy)phenyl]-
CAS Number:
90304-33-9
Molecular Formula:
C31H25NO5
Molecular Weight:
491.5339
IUPAC Name:
2-cyano-3-[2,4,5-tris(phenylmethoxy)phenyl]prop-2-enoic acid
InChI:
InChI=1S/C31H25NO5/c32-19-27(31(33)34)16-26-17-29(36-21-24-12-6-2-7-13-24)30(37-22-25-14-8-3-9-15-25)18-28(26)35-20-23-10-4-1-5-11-23/h1-18H,20-22H2,(H,33,34)
InChI Key:
XSZWOXBGQIYWRN-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1cc(OCc2ccccc2)c(cc1OCc1ccccc1)OCc1ccccc1)C(=O)O

Properties

Complexity:
770  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
491.173g/mol
Formal Charge:
0
Heavy Atom Count:
37  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
491.543g/mol
Monoisotopic Mass:
491.173g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
88.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
6.2  

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