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
    3.5433    0.3219    1.3743 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9386   -0.3641    0.4539 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5419   -0.2067    0.1176 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7568    0.7029    0.7718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5831    0.8088    0.4027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1600    0.0564   -0.5756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3453   -0.8526   -1.2185 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9647   -0.9918   -0.8944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5669    0.1919   -0.9380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0610   -0.5155   -1.8406 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3878    1.1911   -0.2048 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6077    0.1638    1.5915 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0480    1.0676    1.9638 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5140   -1.1142   -0.1114 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1654    1.3190    1.5501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1755    1.5331    0.9353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7855   -1.4592   -1.9984 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6182   -1.7014   -1.3901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4702    0.8256    0.8435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7889    2.1256   -0.1655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3744    1.3492   -0.6672 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