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
   -3.9536    0.1709   -0.1186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9450   -0.1741    0.6461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5452   -0.0812    0.3316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5728   -0.4776    1.2225 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7683   -0.3800    0.9004 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1743    0.1215   -0.3330 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2175    0.5143   -1.2162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1305    0.4084   -0.8739 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5761    0.2289   -0.6825 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9138    0.6803   -1.7914 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5976   -0.1977    0.2782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8014    0.5760   -1.1031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9902    0.0757    0.1778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2106   -0.5790    1.6376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8400   -0.8805    2.2096 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5377   -0.6890    1.5940 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4784    0.9113   -2.1888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8773    0.7222   -1.5805 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5776    0.2094   -0.0089 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6518   -1.3183    0.2597 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3735    0.1585    1.3251 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