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
   -3.2737   -0.5877    0.4109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1546   -0.9390   -0.1744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9192   -0.2287    0.0588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8135    0.8557    0.8984 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3972    1.5233    1.1041 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5239    1.0828    0.4453 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4679   -0.0020   -0.4082 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2681   -0.6171   -0.5747 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7174   -0.4313   -1.0913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3921    0.2340    1.1009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2190   -1.1300    0.2335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1431   -1.7765   -0.8480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6866    1.2282    1.4338 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4350    2.3718    1.7732 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4687    1.6119    0.6123 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2064   -1.4766   -1.2462 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4826    0.3398   -1.0065 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5109   -0.7198   -2.1614 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1236   -1.3387   -0.5605 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