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

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
   -3.2999   -0.3807   -0.4130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0972   -0.8802   -0.4406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8785   -0.1324   -0.1189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9116    1.1736    0.2422 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2835    1.8418    0.5395 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5039    1.2090    0.4764 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5191   -0.1136    0.1090 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3501   -0.7637   -0.1808 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8103   -0.8834    0.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1302   -1.0522   -0.6773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5074    0.6558   -0.1432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9923   -1.9386   -0.7259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8606    1.7038    0.3019 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2056    2.8876    0.8239 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4195    1.7368    0.7086 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3617   -1.8194   -0.4741 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6647   -0.2223    0.2046 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8397   -1.3059   -0.9939 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7197   -1.7161    0.7474 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