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
    3.6203   -1.0789    0.1408 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0283    0.0089   -0.2497 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5808    0.1217   -0.2420 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0591    1.3419   -0.6850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2976    1.4941   -0.6953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1733    0.5099   -0.2930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6436   -0.6849    0.1400 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7345   -0.8817    0.1665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6181    0.7213   -0.3227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0816    1.8184   -0.7211 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4836   -0.3960    0.1296 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0634   -1.9239    0.4794 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7075   -1.1287    0.1218 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6518    0.8410   -0.5857 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7252    2.1519   -1.0141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7178    2.4320   -1.0351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2865   -1.5128    0.4752 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1265   -1.8398    0.5148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5560   -0.1608    0.0237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1819   -1.2882   -0.4679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2575   -0.5455    1.2130 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