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20488-42-0 | Ethanone, 1-[4-[(1E)-2-phenylethenyl]phenyl]-
CAS No: 20488-42-0 Catalog No: AG0029QS MDL No:
Product Description
Catalog Number:
AG0029QS
Chemical Name:
Ethanone, 1-[4-[(1E)-2-phenylethenyl]phenyl]-
CAS Number:
20488-42-0
Molecular Formula:
C16H14O
Molecular Weight:
222.2818
IUPAC Name:
1-[4-[(E)-2-phenylethenyl]phenyl]ethanone
InChI:
InChI=1S/C16H14O/c1-13(17)16-11-9-15(10-12-16)8-7-14-5-3-2-4-6-14/h2-12H,1H3/b8-7+
InChI Key:
IGSGJMNWNNQRFJ-BQYQJAHWSA-N
SMILES:
CC(=O)c1ccc(cc1)/C=C/c1ccccc1
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
222.104g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.287g/mol
Monoisotopic Mass:
222.104g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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