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
    2.8965   -0.9205    0.1197 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3121    0.1906    0.4612 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9012    0.4348    0.3410 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3732    1.6473    0.7302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9672    1.8677    0.6114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8068    0.8963    0.1072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2969   -0.3152   -0.2844 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0604   -0.5245   -0.1587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1470   -1.3877   -0.8294 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4151   -1.7873   -0.2895 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9985   -0.9848    0.2626 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9328    1.0028    0.8705 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0354    2.4128    1.1276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3830    2.8184    0.9164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8629    1.1428    0.0419 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5100   -1.4772   -0.4593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2103   -1.2989   -0.5725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0370   -1.3367   -1.9512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7240   -2.3805   -0.5306 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