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
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
3.3525 -0.2529 -0.0862 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1980 -0.8509 -0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9301 -0.1606 -0.0515 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8405 1.1739 0.2822 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3741 1.8359 0.4534 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5317 1.1081 0.2772 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4925 -0.2341 -0.0581 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2788 -0.8489 -0.2175 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7917 -0.9320 -0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4324 0.7765 0.1704 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2529 -0.8225 -0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1327 -1.9145 -0.4953 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7386 1.7718 0.4271 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3455 2.8741 0.7124 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4692 1.6503 0.4172 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2581 -1.9034 -0.4808 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3217 -0.4919 -1.1006 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4043 -0.7735 0.6918 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6099 -2.0054 -0.3739 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