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
    3.8133    0.3675    0.3219 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0134   -0.6294    0.1226 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5654   -0.4914    0.1564 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9305    0.7080    0.4024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4469    0.8341    0.4335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2173   -0.2853    0.2093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6339   -1.5061   -0.0408 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7373   -1.5850   -0.0623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6703   -0.1593    0.2406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3852   -1.1742    0.0375 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3456    1.1184    0.5026 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4693    1.3604    0.5250 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8832    0.2157    0.2868 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4055   -1.6333   -0.0828 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5076    1.6179    0.5848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9025    1.8051    0.6324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2503   -2.4002   -0.2199 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2229   -2.5478   -0.2597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8650    1.9805   -0.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3951    1.0953    0.1246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4363    1.3090    1.6010 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