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
    3.9136    0.3667   -0.0879 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8067    1.0690    0.0159 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4782    0.4915   -0.0136 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2533   -0.8625   -0.1548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0180   -1.3864   -0.1801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1040   -0.5511   -0.0626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8826    0.8011    0.0785 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3848    1.3348    0.1049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4451   -1.1100   -0.0898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6122   -2.3504   -0.2202 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5902   -0.1709    0.0405 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8789    0.8725   -0.0571 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8846   -0.6999   -0.2031 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8787    2.1623    0.1329 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0920   -1.5485   -0.2500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1541   -2.4763   -0.2948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7440    1.4910    0.1747 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5364    2.4190    0.2187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4966   -0.7871    0.2121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6924    0.4429   -0.8929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3681    0.4922    0.8997 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