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
    2.6171   -1.4481   -0.5481 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3735   -0.2390   -0.1499 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0346    0.2678    0.0544 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8264    1.5839    0.4862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4558    2.0369    0.6714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5601    1.2415    0.4477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3534   -0.0441    0.0259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0723   -0.5168   -0.1657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4799   -0.9676   -0.2385 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6573   -1.7845   -0.6883 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8763   -2.1858   -0.7641 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2032    0.4449    0.0461 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7093    2.1753    0.6506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6029    3.0553    1.0050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5700    1.6519    0.6109 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0470   -1.5349   -0.4984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3400   -0.4904   -0.7266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7600   -1.4546    0.7179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1502   -1.7919   -0.9367 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