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
   -3.8675   -0.4191   -0.3409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9589    0.5058   -0.2419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5553    0.1520   -0.1429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0819   -1.1159   -0.1479 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2707   -1.4044   -0.0505 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1630   -0.3591    0.0551 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6941    0.9380    0.0614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6503    1.2013   -0.0362 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6065   -0.6020    0.1611 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0584   -1.7738    0.1570 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5286    0.5553    0.2734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9067   -0.1315   -0.4134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6232   -1.4511   -0.3530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2325    1.5763   -0.2309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7637   -1.9494   -0.2298 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6251   -2.4189   -0.0564 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3912    1.7848    0.1448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0089    2.2496   -0.0295 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5378    0.2593    0.6019 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6033    1.0990   -0.7049 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1701    1.3038    1.0174 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