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
    3.0852   -0.2322    0.6386 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1881    0.4682   -0.0259 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2788   -0.2291   -0.9729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1470   -0.0625   -0.6015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9093    0.9848   -1.0731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2413    1.0987   -0.6970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7673    0.1381    0.1551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0290   -0.9177    0.6409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7054   -0.9960    0.2427 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1392   -1.2986    0.4795 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7422    0.2830    1.3252 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1298    1.5490    0.1322 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5139   -1.3097   -0.9931 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4729    0.1762   -1.9897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4813    1.7418   -1.7492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8737    1.9016   -1.0421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8049    0.2042    0.4639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4561   -1.6586    1.3053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1348   -1.8411    0.6386 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