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
    3.7546    0.5836    0.5989 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0679   -0.3680    0.0175 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6186   -0.3222   -0.0625 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9456   -1.3778   -0.7011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4260   -1.3609   -0.7915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1905   -0.3279   -0.2703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5496    0.7104    0.3563 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8380    0.6841    0.4427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6415   -0.3200   -0.3715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2201   -1.2717   -0.9453 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4666    0.7752    0.1802 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2623    1.4421    1.0426 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8555    0.5192    0.6431 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6255   -1.2039   -0.4088 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4923   -2.2120   -1.1273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9619   -2.1768   -1.2863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1485    1.5123    0.7606 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2974    1.5151    0.9403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6614    0.6358    1.2714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0304    1.7780    0.0191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4613    0.7855   -0.3083 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