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
    3.9524   -0.1844    0.5174 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0314    0.4496   -0.1568 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5854    0.1827   -0.0354 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0625   -0.7681    0.8076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3174   -0.9978    0.9001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2043   -0.2697    0.1407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6674    0.6811   -0.7009 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6829    0.9130   -0.7982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6418   -0.5034    0.2319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1390   -1.3690    0.9974 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5963    0.2722   -0.5779 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6893   -0.9533    1.2129 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9876    0.0557    0.3845 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3584    1.2279   -0.8555 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7369   -1.3653    1.4257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6841   -1.7612    1.5816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3423    1.2605   -1.3026 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0953    1.6520   -1.4529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8088    1.2155   -0.0112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2249    0.5281   -1.5871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5560   -0.2661   -0.7212 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