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
   -3.7670   -0.1494    0.7905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0484   -0.4617   -0.2384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6042   -0.3386   -0.2738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8841   -0.6925   -1.4161 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4840   -0.5876   -1.4814 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2112   -0.1305   -0.4294 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5426    0.2302    0.7184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8564    0.1219    0.7825 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6612   -0.0051   -0.4594 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2599   -0.3386   -1.5128 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4550    0.4866    0.6669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8397   -0.2595    0.7664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3207    0.2232    1.6853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5442   -0.8387   -1.1324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4614   -1.0575   -2.2572 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9901   -0.8835   -2.4122 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0351    0.5996    1.5934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3697    0.4103    1.6945 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9448    1.2442    1.2939 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3645    0.9790    0.2727 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7473   -0.3650    1.3487 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