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
    3.9091    0.3265   -0.0658 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9224   -0.3051   -0.6395 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5491   -0.1151   -0.2815 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1429    0.7480    0.6964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2070    0.9118    1.0235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1454    0.1822    0.3394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7731   -0.7105   -0.6668 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5683   -0.8269   -0.9419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5459    0.3464    0.6726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8757    1.1440    1.5714 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5616   -0.4225   -0.0457 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9323    0.1525   -0.3676 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7586    1.0378    0.7203 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542   -1.0199   -1.4385 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8717    1.3206    1.2343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4967    1.5980    1.7975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5446   -1.2717   -1.1877 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8484   -1.5175   -1.7194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4179   -0.4385   -1.1531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4978   -1.4880    0.2802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5912   -0.0717    0.1717 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