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
   -3.7563    0.5409    0.4336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0241   -0.4330   -0.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5605   -0.3536   -0.0187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8647    0.7443    0.4188 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    0.7502    0.3736 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2229   -0.3239   -0.1026 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4948   -1.4189   -0.5378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8634   -1.4613   -0.5086 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6661   -0.3236   -0.1524 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2910   -1.3175   -0.5919 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4373    0.8467    0.3130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3370    1.4480    0.8006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8323    0.4612    0.4374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5220   -1.3329   -0.3626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4009    1.6281    0.8090 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0381    1.6361    0.7279 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0067   -2.3122   -0.9311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4414   -2.3292   -0.8535 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0684    1.2207    1.3045 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3494    1.7187   -0.3733 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5155    0.6111    0.4375 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