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
    3.9301    0.2077    0.2248 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8708    0.8990   -0.1214 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5135    0.3821   -0.0327 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4683    1.2157   -0.4318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8450    0.8023   -0.3790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1265   -0.4645    0.0795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0948   -1.2774    0.4698 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2283   -0.8729    0.4210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4806   -0.9454    0.1547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7013   -2.0998    0.5754 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5950   -0.0682   -0.2666 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8782   -0.7946    0.6009 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9013    0.6595    0.1302 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0443    1.9274   -0.4978 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6686    2.2179   -0.7963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6404    1.4824   -0.7001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2888   -2.2745    0.8328 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0272   -1.5192    0.7296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5504   -0.6581   -0.3846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3811    0.5234   -1.1649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8268    0.6573    0.5565 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