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
   -3.9391   -0.0562    0.1555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9163   -0.8398   -0.0346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5588   -0.3599    0.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5166   -1.2748   -0.1965 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7824   -0.8475   -0.1498 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1468    0.4538    0.1027 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1182    1.3411    0.3140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2209    0.9470    0.2753 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5416    0.8725    0.1449 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.0787    0.3785 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6602   -0.0727   -0.0796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8304    0.9905    0.3642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9454   -0.5132    0.0939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0978   -1.9068   -0.2452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7843   -2.3177   -0.3995 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5642   -1.5910   -0.3246 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3330    2.3721    0.5163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0079    1.6828    0.4485 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4428   -1.0970    0.2899 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6145    0.3238    0.2839 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7478   -0.1859   -1.2003 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