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
    3.7288   -0.7606    0.4223 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0148    0.3332    0.4249 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5775    0.3437    0.2639 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8746    1.5390    0.2755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4775    1.5657    0.1253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2363    0.4193   -0.0471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5270   -0.7625   -0.0569 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -0.8095    0.0950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6821    0.4604   -0.2067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3074    1.5442   -0.1948 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4216   -0.8124   -0.3866 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3287   -1.7432    0.3028 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8132   -0.7131    0.5480 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5219    1.3007    0.5554 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4233    2.4550    0.4068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0344    2.5017    0.1337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0426   -1.6997   -0.1861 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3421   -1.7875    0.0756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2315   -1.1480   -1.4439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5130   -0.6897   -0.2123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0056   -1.5368    0.3449 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