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
    2.6213   -1.5634    0.1045 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3442   -0.3536   -0.3001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0286    0.2233   -0.2736 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7911    1.5129   -0.7156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4934    2.0091   -0.6645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5531    1.2745   -0.1911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3104   -0.0063    0.2467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0373   -0.4996    0.1966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4215   -0.8474    0.7698 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9137   -2.2669    0.5009 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6502   -1.9615    0.0638 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1652    0.2591   -0.6833 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6031    2.1270   -1.0977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6671    3.0320   -1.0179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5758    1.6957   -0.1602 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0781   -1.5309    0.5639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0127   -1.1695   -0.1210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0617   -0.2323    1.4268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625   -1.7020    1.3520 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