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
    3.3060   -0.2066    0.4084 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2060   -0.8090    0.0877 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9393   -0.1063    0.0980 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7571    1.2140    0.4310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4812    1.8407    0.4247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5734    1.1151    0.0716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4750   -0.2279   -0.2794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2307   -0.7936   -0.2557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6944   -1.0076   -0.6653 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3345    0.8143    0.6900 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2689   -0.7348    0.4021 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2246   -1.8499   -0.1927 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6390    1.7881    0.7128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5356    2.8576    0.6933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5747    1.5309    0.0418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1271   -1.8330   -0.5235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5416   -0.5808   -0.0628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8933   -0.9585   -1.7508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5483   -2.0527   -0.3311 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