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
   -3.3613   -0.1004    0.5208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2044   -0.7028    0.5829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9181   -0.0891    0.2212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8394    1.2012   -0.2214 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4018    1.7569   -0.5582 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5690    1.0381   -0.4582 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4838   -0.2639   -0.0109 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2611   -0.8030    0.3181 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7552   -1.0255    0.0909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2521   -0.6257    0.8049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4224    0.9120    0.1884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1944   -1.7553    0.9350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7217    1.8142   -0.3204 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4807    2.7761   -0.9098 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5374    1.4857   -0.7256 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2258   -1.8192    0.6635 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5047   -2.0569    0.4716 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2237   -1.1472   -0.9109 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4705   -0.5953    0.7977 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