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
   -3.8091    0.1793   -0.3344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9887    0.2731    0.6888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5341    0.1645    0.5761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7593    0.2787    1.7237 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6099    0.1793    1.6370 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2668   -0.0341    0.4319 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5113   -0.1475   -0.7010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8835   -0.0474   -0.6209 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7054   -0.1375    0.3481 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4265   -0.0385    1.3655 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3480   -0.3648   -0.9610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8736    0.2710   -0.1664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4909    0.0141   -1.3510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4116    0.4417    1.6825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2437    0.4454    2.6772 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417    0.2635    2.5099 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9424   -0.3165   -1.6945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4876   -0.1354   -1.5081 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7822   -1.1855   -1.4649 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4283   -0.6327   -0.8553 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2196    0.5294   -1.6304 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