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
   -3.9000   -0.5365   -0.2780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0040    0.2021    0.3434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5651    0.0600    0.1940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7444    0.9117    0.9145 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6153    0.7555    0.7545 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1729   -0.1737   -0.0585 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3727   -1.0283   -0.7820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0006   -0.8855   -0.6332 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6381   -0.2837   -0.1805 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1395   -1.1479   -0.9365 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5424    0.6016    0.5678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9605   -0.4150   -0.1533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5796   -1.3119   -0.9537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4108    0.9682    1.0128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1725    1.6680    1.5758 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2693    1.4143    1.3116 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7865   -1.7940   -1.4511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6052   -1.5705   -1.2138 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6031    0.3717    0.3483 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4270    0.5296    1.6685 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3760    1.6644    0.2559 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