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
   -3.7827    0.6390    0.3137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9851   -0.3738    0.5570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5505   -0.3694    0.4044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7967   -1.4897    0.6874 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5726   -1.5187    0.5525 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2348   -0.3711    0.1114 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5130    0.7607   -0.1787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8654    0.7323   -0.0242 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6759   -0.3658   -0.0422 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3103   -1.4137    0.2300 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3467    0.8570   -0.5085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3976    1.5821   -0.0318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8473    0.5925    0.4409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4691   -1.3030    0.9085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3286   -2.3738    1.0295 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1740   -2.4011    0.7746 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0062    1.6649   -0.5232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4212    1.6476   -0.2617 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8395    1.3492   -1.3619 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3947    1.5507    0.3597 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3765    0.6041   -0.8875 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