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
    2.7800    1.1995   -0.3553 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3227    0.0090   -0.5665 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9439   -0.3646   -0.3382 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5004   -1.6735   -0.5845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8099   -2.0255   -0.3668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6751   -1.0660    0.0975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2707    0.2177    0.3463 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0529    0.5752    0.1269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2323    1.2477    0.8525 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1969    2.0157    0.0033 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8268    1.4099   -0.5483 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9870   -0.7905   -0.9399 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2423   -2.3656   -0.9475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1053   -3.0549   -0.5732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6969   -1.3342    0.2690 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3184    1.6018    0.3397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0206    2.2040    0.3602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1199    1.3161    1.9676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2407    0.8782    0.6186 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