Monomers

3-Methylstyrene

Identifiers

IUPAC name
1-ethenyl-3-methylbenzene
InchI
InChI=1S/C9H10/c1-3-9-6-4-5-8(2)7-9/h3-7H,1H2,2H3
InchI Key
JZHGRUMIRATHIU-UHFFFAOYSA-N
SMILES
C=Cc1cccc(c1)C
Canonical SMILES
CC1=CC(=CC=C1)C=C
Isomeric SMILES
CC1=CC(=CC=C1)C=C
Resources
cid=

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
2.638
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
    3.2482   -0.6969   -0.2647 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0058   -1.1264   -0.2061 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8488   -0.2402   -0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0064    1.1309    0.1456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0895    1.9194    0.3339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3495    1.3827    0.3816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5105    0.0240    0.2367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4198   -0.7891    0.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8550   -0.5946    0.2822 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0214   -1.4653   -0.4224 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5489    0.3286   -0.1711 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7783   -2.1941   -0.3111 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0195    1.5599    0.1070 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0723    2.9925    0.4453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2184    2.0317    0.5337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5368   -1.8762   -0.0710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6692    0.1321    0.1627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9200   -1.2881   -0.5955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9810   -1.2310    1.1932 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  8  3  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  4 13  1  0
  5 14  1  0
  6 15  1  0
  8 16  1  0
  9 17  1  0
  9 18  1  0
  9 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers