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
    3.9111   -0.1546   -0.6197 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9388    0.7097   -0.5313 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5437    0.3019   -0.3359 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1629   -1.0180   -0.2323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1727   -1.3638   -0.0471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1560   -0.3987    0.0384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7953    0.9449   -0.0637 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5325    1.2534   -0.2463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5428   -0.7740    0.2313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8448   -1.9771    0.3200 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5984    0.2526    0.3236 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7680   -1.2136   -0.5574 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9184    0.2088   -0.7636 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1160    1.7962   -0.5991 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8870   -1.8171   -0.2915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4178   -2.4175    0.0281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5781    1.6869    0.0055 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8186    2.2951   -0.3263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2949    0.9358    1.1704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5862   -0.1721    0.5030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6100    0.9212   -0.5733 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