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
    3.0387   -0.2653    0.9622 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2195    0.3600    0.1325 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3112   -0.4403   -0.6983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1184   -0.1178   -0.4375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7700   -0.8431    0.5467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0928   -0.6317    0.8744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7993    0.3350    0.2024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1628    1.0698   -0.7850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8243    0.8406   -1.1015 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0671   -1.3359    1.0537 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7020    0.3251    1.5685 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1951    1.4345    0.0446 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4976   -0.1575   -1.7745 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5072   -1.5253   -0.6009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2352   -1.6130    1.0931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6065   -1.1960    1.6428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8372    0.5250    0.4356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7548    1.8194   -1.2881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3369    1.4164   -1.8706 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