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
   -3.8918    0.1130    0.6594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8807    0.9101    0.4871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5236    0.4156    0.3559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4713    1.3204    0.1717 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8049    0.8641    0.0478 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1334   -0.4820    0.0945 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0996   -1.3724    0.2755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2140   -0.9224    0.4043 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5068   -0.9495   -0.0404 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7884   -2.1654    0.0037 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6150    0.0211   -0.2357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7663   -0.9400    0.7117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9232    0.4681    0.7604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0673    1.9803    0.4410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7428    2.3578    0.1379 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6180    1.5621   -0.0944 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3358   -2.4347    0.3151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9928   -1.6766    0.5460 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5416   -0.4584   -0.5530 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3056    0.8188   -0.9660 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7248    0.5700    0.7380 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