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
    3.8803    0.3538    0.2699 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7978    0.7561    0.8909 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4768    0.3633    0.4623 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3133   -0.4533   -0.6218 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0389   -0.8275   -1.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0679   -0.3798   -0.3451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8696    0.4366    0.7361 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3691    0.8347    1.1781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4216   -0.7459   -0.7354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6125   -1.4885   -1.7174 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6190   -0.2638    0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9129   -0.2869   -0.5926 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8739    0.6739    0.6253 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9041    1.4043    1.7531 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1164   -0.8540   -1.2198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0616   -1.4831   -1.9016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7428    0.8016    1.2916 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5231    1.4817    2.0352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8132   -0.8377    0.9278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4714    0.8330    0.2101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5269   -0.3185   -0.6238 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