Monomers

Allylbenzene

Identifiers

IUPAC name
prop-2-enylbenzene
InchI
InChI=1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-5,7-8H,1,6H2
InchI Key
HJWLCRVIBGQPNF-UHFFFAOYSA-N
SMILES
C=CCc1ccccc1
Canonical SMILES
C=CCC1=CC=CC=C1
Isomeric SMILES
C=CCC1=CC=CC=C1
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C9H10
Heavy Atom Count
9
Molecular Weight
118.179
Exact Molecular Weight
118.0783
Valence Electrons
46
Radical Electrons
0
tPSA
0.0
MolLogP
2.4151
H Bond Acceptors
0
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

 19 19  0  0  0  0  0  0  0  0999 V2000
    3.1917    0.2145   -0.3161 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1793   -0.4501    0.2219 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1228    0.2790    0.9320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2224    0.0860    0.3358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6421    0.9682   -0.6549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8767    0.8167   -1.2240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7208   -0.1966   -0.8365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2778   -1.0573    0.1491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0493   -0.9274    0.7331 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2997    1.2854   -0.2689 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9611   -0.3321   -0.8348 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1218   -1.5283    0.1437 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3422    1.3634    0.8973 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1525   -0.0323    2.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0150    1.7802   -0.9935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833    1.5142   -1.9930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7121   -0.3079   -1.3022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9350   -1.8625    0.4647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7366   -1.6131    1.4955 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  3 13  1  0
  3 14  1  0
  5 15  1  0
  6 16  1  0
  7 17  1  0
  8 18  1  0
  9 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers