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
    3.7695   -0.8557   -0.8200 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0029   -0.1147   -0.0783 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5616   -0.2739   -0.0873 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7842    0.5564    0.7365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5860    0.4408    0.7602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1918   -0.5088   -0.0419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4449   -1.3324   -0.8567 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9602   -1.2144   -0.8816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6393   -0.6486   -0.0328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2110   -1.5029   -0.7518 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4566    0.2203    0.8296 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4048   -1.6051   -1.4635 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8586   -0.6807   -0.7637 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4578    0.6564    0.5764 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3260    1.2686    1.3298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1426    1.1071    1.4150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8856   -2.0919   -1.5024 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5078   -1.8790   -1.5340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5190    0.2964    0.4693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4692   -0.1627    1.8738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0873    1.2788    0.8235 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