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
   -3.7956    0.5730    0.3277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0538   -0.2203   -0.4127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5923   -0.2373   -0.3539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8510   -1.0974   -1.1601 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5219   -1.1361   -1.1272 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2205   -0.3004   -0.2705 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5254    0.5662    0.5444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8633    0.5779    0.4841 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6812   -0.3433   -0.2371 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2953   -1.1420   -0.9895 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4313    0.5482    0.6770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3773    1.2661    1.0298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8695    0.5213    0.2215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5103   -0.9244   -1.1276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4065   -1.7518   -1.8313 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0827   -1.8164   -1.7662 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0704    1.2149    1.2096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3814    1.2677    1.1347 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4915    0.2415    0.7170 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9820    0.5783    1.6952 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3988    1.6145    0.3099 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