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
   -3.9141   -0.3976    0.4045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9686    0.4922    0.1631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5549    0.1772    0.1544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0569   -1.0769    0.3958 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3151   -1.3574    0.3818 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2062   -0.3487    0.1181 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6907    0.9040   -0.1220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6569    1.1916   -0.1109 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6630   -0.5895    0.0912 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1195   -1.7192    0.3083 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5591    0.5590   -0.2028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9659   -0.1506    0.4083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6848   -1.4323    0.6135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3088    1.5100   -0.0363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7163   -1.8956    0.6064 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6396   -2.3629    0.5794 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4045    1.7034   -0.3314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0219    2.2106   -0.3092 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5079    1.3318    0.6052 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5950    0.2235   -0.3431 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1486    1.0275   -1.1454 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