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
    3.6223   -1.2416   -0.3264 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0635   -0.0564   -0.1942 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6263    0.1329   -0.0899 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1238    1.4187    0.0471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2402    1.6070    0.1467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1427    0.5771    0.1174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6264   -0.6917   -0.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7506   -0.9182   -0.1226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5889    0.8199    0.2267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0388    1.9892    0.3509 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5603   -0.2774    0.1960 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0786   -2.1723   -0.3696 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7109   -1.3621   -0.4035 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7303    0.8044   -0.1643 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8426    2.2238    0.0691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6176    2.6209    0.2536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2545   -1.5433   -0.0505 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0846   -1.9399   -0.2275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2610   -1.1286   -0.4455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5319    0.0849   -0.2167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7713   -0.6475    1.2223 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