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
    3.7856    0.3956    0.7478 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0901   -0.0722   -0.2578 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6399   -0.1115   -0.2710 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9481   -0.6224   -1.3733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4246   -0.6771   -1.4247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2068   -0.2258   -0.3797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5364    0.2806    0.7134 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8526    0.3372    0.7683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6627   -0.2844   -0.4373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2187   -0.7527   -1.4578 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5331    0.1854    0.6592 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8718    0.4104    0.7251 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3332    0.7888    1.6459 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6117   -0.4468   -1.1180 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5638   -0.9736   -2.1867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9564   -1.0796   -2.2936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1275    0.6428    1.5493 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3345    0.7500    1.6628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0758    0.0737    1.6669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8091    1.2351    0.4315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4800   -0.3925    0.6297 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