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
   -3.9335   -0.3116   -0.3195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9373    0.4103   -0.7978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5499    0.1549   -0.4282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1426   -0.8308    0.4287 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1929   -1.0414    0.7555 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1706   -0.2435    0.2126 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7911    0.7639   -0.6589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5381    0.9549   -0.9689 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5487   -0.4801    0.5657 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8469   -1.3938    1.3506 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6057    0.3701   -0.0111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9711   -0.1099   -0.6048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8170   -1.1362    0.3713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2002    1.2085   -1.4839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8935   -1.4843    0.8791 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4998   -1.8247    1.4345 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5420    1.4167   -1.1088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8413    1.7526   -1.6593 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5620    0.2785    0.5792 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2470    1.4342    0.0109 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8177    0.1117   -1.0683 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