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
    3.0222   -0.7221   -0.1560 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3681    0.3754    0.1330 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9220    0.4957    0.1483 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3808    1.7341    0.4766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9882    1.8718    0.4976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8144    0.7859    0.1943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2887   -0.4459   -0.1325 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1016   -0.5716   -0.1500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1835   -1.5872   -0.4516 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0899   -0.7504   -0.1510 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5056   -1.6143   -0.4034 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9798    1.2597    0.3794 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0178    2.5846    0.7141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4248    2.8442    0.7553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8927    0.9229    0.2185 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4941   -1.5439   -0.4081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7611   -2.2430   -1.2377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3780   -2.2112    0.4452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1503   -1.1846   -0.8720 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