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
    3.3572   -0.3678    0.0964 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1689   -0.9029    0.2306 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9177   -0.1687    0.0481 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8730    1.1577   -0.2828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3265    1.8589   -0.4571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5186    1.1834   -0.2880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5118   -0.1574    0.0465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3105   -0.8087    0.2083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8199   -0.8747    0.2261 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2762   -0.9288    0.2359 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4713    0.6704   -0.1626 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0780   -1.9705    0.4970 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7914    1.7313   -0.4263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2838    2.9098   -0.7193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4284    1.7484   -0.4285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3359   -1.8600    0.4706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5239   -0.4622   -0.5281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6770   -1.9556   -0.0177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1971   -0.8025    1.2510 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