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
    3.3207   -0.0105   -0.5359 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1724   -0.6403   -0.5139 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9037   -0.0349   -0.1578 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7876    1.2848    0.1974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4717    1.7884    0.5261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5947    0.9923    0.5016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4693   -0.3317    0.1438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2368   -0.8220   -0.1772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6850   -1.1956    0.1167 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2269   -0.5113   -0.8078 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3631    1.0287   -0.2776 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1914   -1.6933   -0.7856 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6627    1.9484    0.2276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5380    2.8495    0.8074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5420    1.4468    0.7682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1560   -1.8792   -0.4598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8051   -1.6582    1.1258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5469   -0.5462   -0.0697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5829   -2.0156   -0.6294 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