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100808-55-7

100808-55-7 | Phenol, 4-(1,2-diphenyl-1-buten-1-yl)-, 1-acetate

CAS No: 100808-55-7 Catalog No: AG0002XX MDL No:

Product Description

Catalog Number:
AG0002XX
Chemical Name:
Phenol, 4-(1,2-diphenyl-1-buten-1-yl)-, 1-acetate
CAS Number:
100808-55-7
Molecular Formula:
C24H22O2
Molecular Weight:
342.4303
IUPAC Name:
acetic acid;4-(1,2-diphenylbut-1-enyl)phenol
InChI:
InChI=1S/C22H20O.C2H4O2/c1-2-21(17-9-5-3-6-10-17)22(18-11-7-4-8-12-18)19-13-15-20(23)16-14-19;1-2(3)4/h3-16,23H,2H2,1H3;1H3,(H,3,4)
InChI Key:
HQTPUCWGPPLDDF-UHFFFAOYSA-N
SMILES:
CCC(=C(c1ccccc1)c1ccc(cc1)OC(=O)C)c1ccccc1

Properties

Complexity:
408  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.173g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
360.453g/mol
Monoisotopic Mass:
360.173g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  

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