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
    3.9609    0.0300   -0.2053 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9604   -0.4746    0.4728 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5669   -0.2029    0.1435 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5404   -0.7617    0.8925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7869   -0.5306    0.6152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1696    0.2752   -0.4306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1677    0.8399   -1.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1791    0.6046   -0.9044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5838    0.5141   -0.7165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9750    1.2349   -1.6512 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5906   -0.1402    0.1572 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8042    0.6682   -1.0366 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9691   -0.2009    0.0779 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1491   -1.1378    1.3362 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8353   -1.4064    1.7294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5502   -0.9887    1.2278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4682    1.4835   -2.0223 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9077    1.0734   -1.5304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6724   -1.2262   -0.0218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6057    0.2897    0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3030    0.0566    1.2111 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