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
    2.1556   -0.0988   -0.9874 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3561   -0.5744    0.2310 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2007   -0.6759    1.1772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0549   -0.1934    0.5439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8998   -1.0339   -0.1563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0633   -0.5749   -0.7403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4386    0.7502   -0.6519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5981    1.5930    0.0461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4350    1.1320    0.6294 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9834   -0.0282   -1.6594 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1697    0.2123   -1.2947 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3266   -0.8900    0.5597 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0972   -1.7384    1.5284 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4780   -0.0906    2.0672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5937   -2.0791   -0.2199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7148   -1.2503   -1.2865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3527    1.1138   -1.1100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8563    2.6410    0.1390 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2398    1.7856    1.1845 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