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
   -3.9126   -0.3448   -0.0337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9792    0.3387    0.5665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5529    0.1411    0.3391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1079   -0.8250   -0.5649 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2511   -0.9933   -0.7631 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2009   -0.2514   -0.1099 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7353    0.7102    0.7907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6093    0.8974    1.0059 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6377   -0.4285   -0.3186 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1048   -1.2729   -1.1113 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5839    0.4278    0.4400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7610   -1.1278   -0.7599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9692   -0.1380    0.1903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2703    1.1087    1.2852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8030   -1.4412   -1.1104 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5451   -1.7537   -1.4729 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4776    1.2881    1.2995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9593    1.6387    1.6998 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2476    1.4975    0.3072 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5264    0.2441    1.5326 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6142    0.2842    0.0980 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