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
    3.9435   -0.2864    0.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8584   -1.0034   -0.0623 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5225   -0.4214   -0.0615 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4327   -1.2764   -0.1804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8537   -0.8021   -0.1873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1211    0.5464   -0.0764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0411    1.3929    0.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2483    0.9092    0.0476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4972    1.0348   -0.0855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7680    2.2379    0.0122 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6066    0.0670   -0.2153 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8823    0.7772    0.1372 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9077   -0.7536    0.0391 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9706   -2.0838   -0.1550 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5894   -2.3488   -0.2708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7090   -1.4613   -0.2796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2329    2.4727    0.1311 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0605    1.6103    0.1419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5839    0.5409   -0.0240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5453   -0.3955   -1.2214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4571   -0.7565    0.5156 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