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
    3.9121   -0.4423    0.3870 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044    0.0538   -0.4272 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5825   -0.0056   -0.1632 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0377   -0.5836    0.9599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3455   -0.6219    1.1810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1994   -0.0678    0.2542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6768    0.5165   -0.8782 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7010    0.5490   -1.0878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6251   -0.1259    0.5163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0884   -0.6604    1.5503 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5708    0.4577   -0.4548 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9882   -0.3819    0.1586 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7058   -0.9397    1.3247 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3719    0.5264   -1.3369 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7193   -1.0167    1.6828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7225   -1.0970    2.0964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3352    0.9598   -1.6223 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1194    1.0074   -1.9770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1989    1.3915   -0.9136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8242   -0.2351   -1.2849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5554    0.7160    0.0348 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