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
   -3.7057   -0.0794    0.4065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8960   -0.8632   -0.2462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4728   -0.5780   -0.3089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9245    0.5181    0.3105 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4247    0.7695    0.2386 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2205   -0.0968   -0.4659 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6710   -1.1893   -1.0828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6706   -1.4749   -1.0346 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6507    0.1410   -0.5607 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3844   -0.6559   -1.2091 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2178    1.3338    0.1186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7725   -0.3496    0.4168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3995    0.7870    0.9181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2614   -1.7436   -0.7565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5097    1.2341    0.8802 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8561    1.6565    0.7421 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3285   -1.8664   -1.6396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0986   -2.3384   -1.5233 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8031    2.2244   -0.3559 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8300    1.2912    1.1780 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3247    1.2798    0.0994 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