Monomers

1-(4-Vinylphenyl)ethanone

Identifiers

IUPAC name
1-(4-ethenylphenyl)ethanone
InchI
InChI=1S/C10H10O/c1-3-9-4-6-10(7-5-9)8(2)11/h3-7H,1H2,2H3
InchI Key
HDXVSRDSYNPSAE-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1)C(=O)C
Canonical SMILES
CC(=O)C1=CC=C(C=C1)C=C
Isomeric SMILES
CC(=O)C1=CC=C(C=C1)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H10O
Heavy Atom Count
11
Molecular Weight
146.189
Exact Molecular Weight
146.0732
Valence Electrons
56
Radical Electrons
0
tPSA
17.07
MolLogP
2.5322
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 21 21  0  0  0  0  0  0  0  0999 V2000
    3.8913   -0.0099    0.7039 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8657   -0.8105    0.7255 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5253   -0.3442    0.4194 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2239    0.9506    0.0876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0914    1.3493   -0.1997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1323    0.4441   -0.1573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8407   -0.8639    0.1759 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4460   -1.2369    0.4533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5071    0.8452   -0.4541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7220    2.0421   -0.7510 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5835   -0.1752   -0.3918 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7805    1.0276    0.4578 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9117   -0.3443    0.9323 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0566   -1.8557    0.9854 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0124    1.7046    0.0404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2986    2.3721   -0.4571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6843   -1.5481    0.1994 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6734   -2.2725    0.7166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4331   -0.8485   -1.2712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5149   -0.7270    0.5676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5790    0.3013   -0.5049 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  2  0
  9 11  1  0
  8  3  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  4 15  1  0
  5 16  1  0
  7 17  1  0
  8 18  1  0
 11 19  1  0
 11 20  1  0
 11 21  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers