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
    3.9256    0.2256   -0.0843 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9370   -0.5965    0.1842 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5536   -0.2210    0.0835 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5837   -1.1862    0.3964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7624   -0.8951    0.3216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1836    0.3604   -0.0653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2086    1.2823   -0.3647 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1525    1.0341   -0.3035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6130    0.6858   -0.1498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9887    1.8260   -0.5010 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6025   -0.3648    0.1898 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7536    1.2399   -0.3989 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9711   -0.1069    0.0070 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2161   -1.6126    0.4980 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8967   -2.1783    0.7023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4913   -1.6530    0.5669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5149    2.2759   -0.6712 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8723    1.8238   -0.5586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5737   -0.5294    1.2998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3001   -1.3275   -0.3178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6234   -0.0824   -0.1403 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