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
    3.9102   -0.6219    0.1855 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7655   -1.2302    0.0297 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4519   -0.6190    0.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2828   -1.3237   -0.0926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9423   -0.7358   -0.0416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0751    0.6273    0.1921 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0835    1.3384    0.3664 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3448    0.7294    0.3132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3930    1.2510    0.2454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5196    2.4792    0.4557 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6021    0.4241    0.0485 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8602   -1.1280    0.1371 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9403    0.4370    0.3728 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8143   -2.3168   -0.1592 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3616   -2.3930   -0.2770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8830   -1.2718   -0.1759 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0029    2.4199    0.5529 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1845    1.4025    0.4673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4605   -0.1805   -0.8840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6127   -0.3164    0.8988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5141    1.0282    0.0146 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