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
    2.9684   -0.8540   -0.8728 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6806   -0.9045   -1.1326 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8575    0.3382   -1.2579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2243    0.3292   -0.2393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0535    0.8702    1.0238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0668    0.8540    1.9575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2849    0.2921    1.6484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4509   -0.2451    0.3906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4439   -0.2351   -0.5534 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5365   -1.7525   -0.7877 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4392    0.1032   -0.7478 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2374   -1.8959   -1.2532 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4218    0.3362   -2.2705 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4714    1.2375   -1.1059 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8956    1.3215    1.3002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8914    1.2869    2.9309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1053    0.2702    2.3812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4070   -0.6920    0.1324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5803   -0.6603   -1.5440 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